3-methyl-N-(4-methylpentyl)pentan-3-amine

C12H27N — CID 102672207

IUPAC3-methyl-N-(4-methylpentyl)pentan-3-amine
SMILESCCC(C)(CC)NCCCC(C)C
InChIInChI=1S/C12H27N/c1-6-12(5,7-2)13-10-8-9-11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyAZPUFUHSVZNVDH-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds7

About 3-methyl-N-(4-methylpentyl)pentan-3-amine

3-methyl-N-(4-methylpentyl)pentan-3-amine (PubChem CID 102672207) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpentyl)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylpentyl)pentan-3-amine
PubChem CID102672207
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-methyl-N-(4-methylpentyl)pentan-3-amine
SMILESCCC(C)(CC)NCCCC(C)C
InChIInChI=1S/C12H27N/c1-6-12(5,7-2)13-10-8-9-11(3)4/h11,13H,6-10H2,1-5H3
InChIKeyAZPUFUHSVZNVDH-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
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

1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 106167492
4-(3-methylpentan-3-ylamino)butanenitrile
CID 103746698
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
2,6-dimethyl-6-(sulfinoamino)octane
CID 57421750
1-chloro-3-methyl-N-[2-(3-methylbutoxy)ethyl]pentan-3-amine
CID 106167328
4-ethyl-1-N-(3-methylpentan-3-yl)hexane-1,4-diamine
CID 91395306
3,3-dimethylpentane;2-methylhexane
CID 158289309
4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
CID 90911133
4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
CID 106841450
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpentyl)pentan-3-amine?
The IUPAC name of 3-methyl-N-(4-methylpentyl)pentan-3-amine (CID 102672207) is 3-methyl-N-(4-methylpentyl)pentan-3-amine.
What is the SMILES notation for 3-methyl-N-(4-methylpentyl)pentan-3-amine?
The canonical SMILES for 3-methyl-N-(4-methylpentyl)pentan-3-amine is CCC(C)(CC)NCCCC(C)C.
What is the InChIKey of 3-methyl-N-(4-methylpentyl)pentan-3-amine?
The InChIKey is AZPUFUHSVZNVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-12(5,7-2)13-10-8-9-11(3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of 3-methyl-N-(4-methylpentyl)pentan-3-amine?
3-methyl-N-(4-methylpentyl)pentan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpentyl)pentan-3-amine is sourced from PubChem (CID 102672207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).