N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine

C12H23N — CID 142109813

IUPACN-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
SMILESC=C(C)CC(=C)NC(C)CCCC
InChIInChI=1S/C12H23N/c1-6-7-8-11(4)13-12(5)9-10(2)3/h11,13H,2,5-9H2,1,3-4H3
InChIKeyOGBCRAUXNKPHDV-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.63
Rot. Bonds7

About N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine

N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine (PubChem CID 142109813) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
PubChem CID142109813
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
SMILESC=C(C)CC(=C)NC(C)CCCC
InChIInChI=1S/C12H23N/c1-6-7-8-11(4)13-12(5)9-10(2)3/h11,13H,2,5-9H2,1,3-4H3
InChIKeyOGBCRAUXNKPHDV-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-3-enyl)hexan-2-amine
CID 114472228
N-hexan-2-ylacetamide;methane
CID 161054772
N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
N-prop-1-en-2-ylnonan-5-amine
CID 166689261
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine
CID 172566835
N-hexan-2-yl-2-methoxyacetamide
CID 64592486
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041
N-hexadecan-2-ylhydroxylamine
CID 54390562
N-hexan-2-ylbutanamide
CID 64592038

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine?
The IUPAC name of N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine (CID 142109813) is N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine.
What is the SMILES notation for N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine?
The canonical SMILES for N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine is C=C(C)CC(=C)NC(C)CCCC.
What is the InChIKey of N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine?
The InChIKey is OGBCRAUXNKPHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-8-11(4)13-12(5)9-10(2)3/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine?
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine is sourced from PubChem (CID 142109813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).