N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine

C19H37N — CID 146312766

IUPACN-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine
SMILESC=C(C)CC(C)C(C)CCC(CC)NC(C)(C)C(=C)C
InChIInChI=1S/C19H37N/c1-10-18(20-19(8,9)15(4)5)12-11-16(6)17(7)13-14(2)3/h16-18,20H,2,4,10-13H2,1,3,5-9H3
InChIKeyQUMBZQBCLTVOPT-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.73
Rot. Bonds10

About N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine

N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine (PubChem CID 146312766) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine
PubChem CID146312766
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine
SMILESC=C(C)CC(C)C(C)CCC(CC)NC(C)(C)C(=C)C
InChIInChI=1S/C19H37N/c1-10-18(20-19(8,9)15(4)5)12-11-16(6)17(7)13-14(2)3/h16-18,20H,2,4,10-13H2,1,3,5-9H3
InChIKeyQUMBZQBCLTVOPT-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine with MolForge

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Related Compounds

5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
5-methyl-N-propan-2-ylhex-5-en-3-amine
CID 134490897
2,4,7,8,9-pentamethylundec-1-ene
CID 90965506
5-ethyl-2,4-dimethylnon-1-ene
CID 145461999
2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide
CID 115920256
(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene
CID 20695172
2,3,5-trimethyl-N-propylhex-5-en-1-amine
CID 81016031
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
1-N-(1-aminoethenyl)-4-N-(2,3-dimethylbut-3-en-2-yl)pentane-1,4-diamine
CID 142548250
N-[(3E)-3-ethylidene-4,4-dimethylhexan-2-yl]-6,7-dimethylnonan-3-amine
CID 166865927
methyl 2-(heptan-3-ylamino)-2-methylpropanoate
CID 63944358
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine?
The IUPAC name of N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine (CID 146312766) is N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine.
What is the SMILES notation for N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine?
The canonical SMILES for N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine is C=C(C)CC(C)C(C)CCC(CC)NC(C)(C)C(=C)C.
What is the InChIKey of N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine?
The InChIKey is QUMBZQBCLTVOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-10-18(20-19(8,9)15(4)5)12-11-16(6)17(7)13-14(2)3/h16-18,20H,2,4,10-13H2,1,3,5-9H3.
What are the key properties of N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine?
N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine has a molecular weight of 279.51 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbut-3-en-2-yl)-6,7,9-trimethyldec-9-en-3-amine is sourced from PubChem (CID 146312766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).