(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine

C17H30N2 — CID 135278053

IUPAC(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine
SMILESC=C(C)CCCNC(=C)[C@H](C)/C=C\C(=C/CC)NC
InChIInChI=1S/C17H30N2/c1-7-9-17(18-6)12-11-15(4)16(5)19-13-8-10-14(2)3/h9,11-12,15,18-19H,2,5,7-8,10,13H2,1,3-4,6H3/b12-11-,17-9+/t15-/m1/s1
InChIKeyBMIXYIHYMJEMAS-IGLOCGQSSA-N
MW262.44 g/mol
LogP4.15
Rot. Bonds10

About (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine

(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine (PubChem CID 135278053) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine.

Molecular Properties

Compound Name(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine
PubChem CID135278053
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine
SMILESC=C(C)CCCNC(=C)[C@H](C)/C=C\C(=C/CC)NC
InChIInChI=1S/C17H30N2/c1-7-9-17(18-6)12-11-15(4)16(5)19-13-8-10-14(2)3/h9,11-12,15,18-19H,2,5,7-8,10,13H2,1,3-4,6H3/b12-11-,17-9+/t15-/m1/s1
InChIKeyBMIXYIHYMJEMAS-IGLOCGQSSA-N
XLogP4.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylhex-1-ene
CID 158402499
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
(2E,4Z)-N-butyl-6-methylhepta-2,4,6-trien-3-amine
CID 143915621
(Z)-2-(methylamino)pent-2-enal
CID 144647822
ethyl N-(4-methylpent-4-enyl)carbamate
CID 123482675
(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine
CID 143792641
2,6-dimethyl-8-propoxyocta-1,6-diene
CID 91499323
(5E)-2,5-dimethylocta-1,5-dien-4-ol
CID 10796974
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
2-methyltetradec-1-ene
CID 521375
ethane;2-methylhept-1-ene
CID 143682307
N-(3-methylbut-3-enyl)hexan-2-amine
CID 114472228

Frequently Asked Questions

What is the IUPAC name of (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine?
The IUPAC name of (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine (CID 135278053) is (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine.
What is the SMILES notation for (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine?
The canonical SMILES for (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine is C=C(C)CCCNC(=C)[C@H](C)/C=C\C(=C/CC)NC.
What is the InChIKey of (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine?
The InChIKey is BMIXYIHYMJEMAS-IGLOCGQSSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-9-17(18-6)12-11-15(4)16(5)19-13-8-10-14(2)3/h9,11-12,15,18-19H,2,5,7-8,10,13H2,1,3-4,6H3/b12-11-,17-9+/t15-/m1/s1.
What are the key properties of (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine?
(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine is sourced from PubChem (CID 135278053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).