N-(5-chloro-4-methylpentyl)cycloheptanamine

C13H26ClN — CID 106153204

IUPACN-(5-chloro-4-methylpentyl)cycloheptanamine
SMILESCC(CCl)CCCNC1CCCCCC1
InChIInChI=1S/C13H26ClN/c1-12(11-14)7-6-10-15-13-8-4-2-3-5-9-13/h12-13,15H,2-11H2,1H3
InChIKeyLJTQMSZSOMBLTC-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.95
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)cycloheptanamine

N-(5-chloro-4-methylpentyl)cycloheptanamine (PubChem CID 106153204) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)cycloheptanamine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)cycloheptanamine
PubChem CID106153204
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC NameN-(5-chloro-4-methylpentyl)cycloheptanamine
SMILESCC(CCl)CCCNC1CCCCCC1
InChIInChI=1S/C13H26ClN/c1-12(11-14)7-6-10-15-13-8-4-2-3-5-9-13/h12-13,15H,2-11H2,1H3
InChIKeyLJTQMSZSOMBLTC-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.95
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

N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N'-cyclobutyl-2-methylpentane-1,5-diamine
CID 82682689
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-(3-chlorobutyl)cyclopentanamine
CID 82936490
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N-(4-chloro-2-methylbutyl)cycloheptanamine
CID 82936912
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)cycloheptanamine?
The IUPAC name of N-(5-chloro-4-methylpentyl)cycloheptanamine (CID 106153204) is N-(5-chloro-4-methylpentyl)cycloheptanamine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)cycloheptanamine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)cycloheptanamine is CC(CCl)CCCNC1CCCCCC1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)cycloheptanamine?
The InChIKey is LJTQMSZSOMBLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-12(11-14)7-6-10-15-13-8-4-2-3-5-9-13/h12-13,15H,2-11H2,1H3.
What are the key properties of N-(5-chloro-4-methylpentyl)cycloheptanamine?
N-(5-chloro-4-methylpentyl)cycloheptanamine has a molecular weight of 231.81 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)cycloheptanamine is sourced from PubChem (CID 106153204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).