N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine

C19H39N — CID 123870648

IUPACN-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine
SMILESCCCC(C)C=CC(C)CN(C)C(C)CC(C)C(C)C
InChIInChI=1S/C19H39N/c1-9-10-16(4)11-12-17(5)14-20(8)19(7)13-18(6)15(2)3/h11-12,15-19H,9-10,13-14H2,1-8H3
InChIKeyWNBKOMICJMQOTD-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.62
Rot. Bonds10

About N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine

N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine (PubChem CID 123870648) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine.

Molecular Properties

Compound NameN-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine
PubChem CID123870648
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine
SMILESCCCC(C)C=CC(C)CN(C)C(C)CC(C)C(C)C
InChIInChI=1S/C19H39N/c1-9-10-16(4)11-12-17(5)14-20(8)19(7)13-18(6)15(2)3/h11-12,15-19H,9-10,13-14H2,1-8H3
InChIKeyWNBKOMICJMQOTD-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14525584
Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
CID 134365806
4-Fluoro-1-propan-2-yl-3-(1-propan-2-yl-2,3,4,7-tetrahydroazepin-3-yl)-6-(1-propan-2-yl-2,3,6,7-tetrahydroazepin-3-yl)-2,3,6,7-tetrahydroazepine
CID 167226628
(2S,3S)-N-[(2S)-butan-2-yl]-N-ethyl-4-fluoro-2-methyl-3-[(3S)-3-prop-2-enylcyclopropen-1-yl]butan-1-amine
CID 173787751
tetrahydromethyl-N,N-dimethylbenzylamine
CID 132427535
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium
CID 118719153
N,N-dimethyl-6-propylundec-7-en-4-amine
CID 170848026

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine?
The IUPAC name of N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine (CID 123870648) is N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine.
What is the SMILES notation for N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine?
The canonical SMILES for N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine is CCCC(C)C=CC(C)CN(C)C(C)CC(C)C(C)C.
What is the InChIKey of N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine?
The InChIKey is WNBKOMICJMQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-9-10-16(4)11-12-17(5)14-20(8)19(7)13-18(6)15(2)3/h11-12,15-19H,9-10,13-14H2,1-8H3.
What are the key properties of N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine?
N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylhexan-2-yl)-N,2,5-trimethyloct-3-en-1-amine is sourced from PubChem (CID 123870648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).