N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine

C19H35N — CID 176531144

IUPACN-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine
SMILESC=C=C(CC(CCC)CCC)NC(CC(C)C)C(=C)C
InChIInChI=1S/C19H35N/c1-8-11-17(12-9-2)14-18(10-3)20-19(16(6)7)13-15(4)5/h15,17,19-20H,3,6,8-9,11-14H2,1-2,4-5,7H3
InChIKeyKOWORBOCJOUAHM-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.84
Rot. Bonds11

About N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine

N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine (PubChem CID 176531144) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine
PubChem CID176531144
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine
SMILESC=C=C(CC(CCC)CCC)NC(CC(C)C)C(=C)C
InChIInChI=1S/C19H35N/c1-8-11-17(12-9-2)14-18(10-3)20-19(16(6)7)13-15(4)5/h15,17,19-20H,3,6,8-9,11-14H2,1-2,4-5,7H3
InChIKeyKOWORBOCJOUAHM-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine with MolForge

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Related Compounds

(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine
CID 146514744
(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine
CID 155394160
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
CID 174252655
N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
CID 142110250
N-(3-cyclopentylprop-1-en-2-yl)-4-fluoro-2,4-dimethylpent-1-en-3-amine
CID 143786509
tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane
CID 11026338
3-ethyl-4-methyl-N-(2-methylpent-1-en-3-yl)penta-1,4-dien-2-amine
CID 57525948
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
CID 58185963
N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine
CID 58450015
4-methyl-N-pent-1-en-3-yltridecan-2-amine;yttrium
CID 60024645
N-hex-1-en-2-yl-4-methylcyclohexan-1-amine
CID 67593365
N,2,4-trimethylhex-1-en-3-amine
CID 79177496

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine?
The IUPAC name of N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine (CID 176531144) is N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine.
What is the SMILES notation for N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine?
The canonical SMILES for N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine is C=C=C(CC(CCC)CCC)NC(CC(C)C)C(=C)C.
What is the InChIKey of N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine?
The InChIKey is KOWORBOCJOUAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-8-11-17(12-9-2)14-18(10-3)20-19(16(6)7)13-15(4)5/h15,17,19-20H,3,6,8-9,11-14H2,1-2,4-5,7H3.
What are the key properties of N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine?
N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine has a molecular weight of 277.50 g/mol, XLogP of 5.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylhex-1-en-3-yl)-5-propylocta-1,2-dien-3-amine is sourced from PubChem (CID 176531144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).