1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine

C13H28ClN — CID 106354031

IUPAC1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine
SMILESCC(C)CCCNC(CCCl)C(C)(C)C
InChIInChI=1S/C13H28ClN/c1-11(2)7-6-10-15-12(8-9-14)13(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyFZYVYCPPBZAEGV-UHFFFAOYSA-N
MW233.83 g/mol
LogP4.06
Rot. Bonds7

About 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine

1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine (PubChem CID 106354031) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine.

Molecular Properties

Compound Name1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine
PubChem CID106354031
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Name1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine
SMILESCC(C)CCCNC(CCCl)C(C)(C)C
InChIInChI=1S/C13H28ClN/c1-11(2)7-6-10-15-12(8-9-14)13(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyFZYVYCPPBZAEGV-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-hexyl-4,4-dimethylpentan-3-amine
CID 106353980
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
CID 106354187
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 106167492
(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
CID 153489696
1-chloro-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentan-3-amine
CID 106354049
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
1-chloro-4,4-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]pentan-3-amine
CID 106354200
1-chloro-3-methylbutane;hydrochloride
CID 172682521
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
CID 175745189
CID 175745189

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine?
The IUPAC name of 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine (CID 106354031) is 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine.
What is the SMILES notation for 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine?
The canonical SMILES for 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine is CC(C)CCCNC(CCCl)C(C)(C)C.
What is the InChIKey of 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine?
The InChIKey is FZYVYCPPBZAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClN/c1-11(2)7-6-10-15-12(8-9-14)13(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine?
1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine has a molecular weight of 233.83 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine is sourced from PubChem (CID 106354031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).