6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine

C28H50N2 — CID 123570591

IUPAC6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine
SMILESC=NC=C(CCCC(C)C(C)=CCC)N(C(C=CC)C(C)C)C(CC)C(C)C=CC
InChIInChI=1S/C28H50N2/c1-11-16-23(7)24(8)19-15-20-26(21-29-10)30(28(18-13-3)22(5)6)27(14-4)25(9)17-12-2/h12-13,16-18,21-22,24-25,27-28H,10-11,14-15,19-20H2,1-9H3
InChIKeyJEUSOULWQGCJQP-UHFFFAOYSA-N
MW414.72 g/mol
LogP8.58
Rot. Bonds15

About 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine

6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine (PubChem CID 123570591) has the molecular formula C28H50N2 and a molecular weight of 414.72 g/mol. Its IUPAC name is 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine
PubChem CID123570591
Molecular FormulaC28H50N2
Molecular Weight414.72 g/mol
Exact Mass414.40
IUPAC Name6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine
SMILESC=NC=C(CCCC(C)C(C)=CCC)N(C(C=CC)C(C)C)C(CC)C(C)C=CC
InChIInChI=1S/C28H50N2/c1-11-16-23(7)24(8)19-15-20-26(21-29-10)30(28(18-13-3)22(5)6)27(14-4)25(9)17-12-2/h12-13,16-18,21-22,24-25,27-28H,10-11,14-15,19-20H2,1-9H3
InChIKeyJEUSOULWQGCJQP-UHFFFAOYSA-N
XLogP8.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dipentyl-2,4-bis(prop-2-enyl)-4H-pyridine
CID 69776635
(4S)-4,5-dimethyl-N-(4-methylcyclohexen-1-yl)-N-(4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-amine
CID 71096929
4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
CID 90782407
4-[Butan-2-yl(propyl)amino]pent-4-enyl-methylidene-[1-(1-pent-3-en-2-yl-2,3,6,7-tetrahydroazepin-4-yl)propan-2-yl]azanium
CID 91466054
Ethyl-[3-ethyl-2-methyl-4-[[1-(4-methyl-3,6-dipropyldodeca-1,4-dienyl)-5-methylidene-2-pentan-3-yl-4-pentan-2-ylidenepyrrol-3-yl]methyl]hept-3-enyl]-methylideneazanium
CID 123992854
(2Z)-3-[[[(E)-1-ethenylimino-3-methylhept-2-en-4-ylidene]amino]methyl]-2-ethylidene-N-hexan-2-yl-N-methylpentan-1-amine
CID 130255596
4-[3-[4-[4-Methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole
CID 130305459
1-Propan-2-yl-5-[5-(5-propan-2-yl-2,3,4,5-tetrahydroazepin-1-yl)hexan-2-yl]-2,3,4,7-tetrahydroazepine
CID 130305584
(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine
CID 134526689
(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine
CID 138474865
ethane;2-hexan-3-yl-4-methyl-1-prop-1-en-2-yl-2H-pyridine
CID 141961479
(3E)-N,N-diethyl-3-methylpenta-1,3-dien-2-amine;ethane;2-[(3Z)-hexa-3,5-dien-3-yl]-1-methylcyclohexa-1,3-diene;4-methylheptane;N-methylmethanimine
CID 143393889

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine?
The IUPAC name of 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine (CID 123570591) is 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine.
What is the SMILES notation for 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine?
The canonical SMILES for 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine is C=NC=C(CCCC(C)C(C)=CCC)N(C(C=CC)C(C)C)C(CC)C(C)C=CC.
What is the InChIKey of 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine?
The InChIKey is JEUSOULWQGCJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N2/c1-11-16-23(7)24(8)19-15-20-26(21-29-10)30(28(18-13-3)22(5)6)27(14-4)25(9)17-12-2/h12-13,16-18,21-22,24-25,27-28H,10-11,14-15,19-20H2,1-9H3.
What are the key properties of 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine?
6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine has a molecular weight of 414.72 g/mol, XLogP of 8.58, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine is sourced from PubChem (CID 123570591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).