1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine

C15H30N2 — CID 138519658

IUPAC1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine
SMILESC=CCN(CC)C(N)CC(C)CCC=C(C)C
InChIInChI=1S/C15H30N2/c1-6-11-17(7-2)15(16)12-14(5)10-8-9-13(3)4/h6,9,14-15H,1,7-8,10-12,16H2,2-5H3
InChIKeySUTNUUIAHYBEGO-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.55
Rot. Bonds9

About 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine

1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine (PubChem CID 138519658) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine
PubChem CID138519658
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine
SMILESC=CCN(CC)C(N)CC(C)CCC=C(C)C
InChIInChI=1S/C15H30N2/c1-6-11-17(7-2)15(16)12-14(5)10-8-9-13(3)4/h6,9,14-15H,1,7-8,10-12,16H2,2-5H3
InChIKeySUTNUUIAHYBEGO-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine
CID 167084224
1,3-Propanediamine, N'-[(3S)-3,7-dimethyl-6-octenyl]-N,N-dimethyl-
CID 2298843
1-methyl-4-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 20460480
4-Butan-2-yl-1,2,3,6-tetrahydropyridine
CID 55287891
N'-(4-methylcyclohex-2-en-1-yl)methanediamine
CID 68263628
4-Pentan-3-yl-1,2,3,6-tetrahydropyridine
CID 68269804
4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916
(Z,4S)-1-N'-(cyclopropylmethyl)-2,4-dimethylhept-5-ene-1,1-diamine
CID 89473882
4-methyl-6-(3-methylpent-4-enyl)-2,3,4,7-tetrahydro-1H-azepine
CID 90769228
1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine
CID 91034521
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
CID 91082347
N-propyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pentan-1-amine
CID 117943554

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine?
The IUPAC name of 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine (CID 138519658) is 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine is C=CCN(CC)C(N)CC(C)CCC=C(C)C.
What is the InChIKey of 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine?
The InChIKey is SUTNUUIAHYBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-11-17(7-2)15(16)12-14(5)10-8-9-13(3)4/h6,9,14-15H,1,7-8,10-12,16H2,2-5H3.
What are the key properties of 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine?
1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-3,7-dimethyl-1-N'-prop-2-enyloct-6-ene-1,1-diamine is sourced from PubChem (CID 138519658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).