5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine

C13H27N — CID 139520172

IUPAC5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine
SMILESC=C(CC(C)C)NCCCCC(C)C
InChIInChI=1S/C13H27N/c1-11(2)8-6-7-9-14-13(5)10-12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyIFCBEYTZVUTHAM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.96
Rot. Bonds8

About 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine

5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine (PubChem CID 139520172) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine
PubChem CID139520172
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine
SMILESC=C(CC(C)C)NCCCCC(C)C
InChIInChI=1S/C13H27N/c1-11(2)8-6-7-9-14-13(5)10-12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyIFCBEYTZVUTHAM-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
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CID 155148528
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
CID 166800769
1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
1-methyl-3-(7-methyloctyl)urea
CID 71899901
2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine (CID 139520172) is 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine is C=C(CC(C)C)NCCCCC(C)C.
What is the InChIKey of 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine?
The InChIKey is IFCBEYTZVUTHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)8-6-7-9-14-13(5)10-12(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine?
5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine is sourced from PubChem (CID 139520172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).