(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine

C19H39N — CID 129045736

IUPAC(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine
SMILESCC/C=C(\NC(C)C)C(CCCCC(C)C)C(C)CC
InChIInChI=1S/C19H39N/c1-8-12-19(20-16(5)6)18(17(7)9-2)14-11-10-13-15(3)4/h12,15-18,20H,8-11,13-14H2,1-7H3/b19-12-
InChIKeyPIBGTWOAOXEAMR-UNOMPAQXSA-N
MW281.53 g/mol
LogP6.16
Rot. Bonds11

About (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine

(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine (PubChem CID 129045736) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine.

Molecular Properties

Compound Name(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine
PubChem CID129045736
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine
SMILESCC/C=C(\NC(C)C)C(CCCCC(C)C)C(C)CC
InChIInChI=1S/C19H39N/c1-8-12-19(20-16(5)6)18(17(7)9-2)14-11-10-13-15(3)4/h12,15-18,20H,8-11,13-14H2,1-7H3/b19-12-
InChIKeyPIBGTWOAOXEAMR-UNOMPAQXSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-N,2-dimethyl-4-N-(3,5,7-trimethyloctan-4-yl)hept-4-ene-3,4-diamine
CID 166686759
(2S)-3-methyl-2-(13-methyltetradecanoylamino)pentanoic acid
CID 87871301
4,9-dimethyldec-3-ene
CID 91170380
(Z)-N,2-dimethylhex-3-en-3-amine
CID 170980731
(E)-4,8-dimethylnon-3-ene
CID 22743489
ethyl-dimethyl-(5-methylhexyl)phosphanium
CID 90936970
(Z)-N,2-dimethylhex-3-en-3-amine;ethane
CID 170980730
(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine
CID 170275071
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
N,4,8-trimethylnonan-3-amine
CID 83158813
(Z)-4-methoxy-6-methylhept-3-ene
CID 12705644
2,22-dimethyltricosane
CID 58100191

Frequently Asked Questions

What is the IUPAC name of (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine?
The IUPAC name of (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine (CID 129045736) is (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine.
What is the SMILES notation for (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine?
The canonical SMILES for (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine is CC/C=C(\NC(C)C)C(CCCCC(C)C)C(C)CC.
What is the InChIKey of (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine?
The InChIKey is PIBGTWOAOXEAMR-UNOMPAQXSA-N. The full InChI is InChI=1S/C19H39N/c1-8-12-19(20-16(5)6)18(17(7)9-2)14-11-10-13-15(3)4/h12,15-18,20H,8-11,13-14H2,1-7H3/b19-12-.
What are the key properties of (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine?
(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine has a molecular weight of 281.53 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine is sourced from PubChem (CID 129045736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).