N-(5,5-dimethylhexyl)-N-methylcyclopentanamine

C14H29N — CID 170541802

IUPACN-(5,5-dimethylhexyl)-N-methylcyclopentanamine
SMILESCN(CCCCC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H29N/c1-14(2,3)11-7-8-12-15(4)13-9-5-6-10-13/h13H,5-12H2,1-4H3
InChIKeyPSEPYGAWLRKPAC-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.08
Rot. Bonds5

About N-(5,5-dimethylhexyl)-N-methylcyclopentanamine

N-(5,5-dimethylhexyl)-N-methylcyclopentanamine (PubChem CID 170541802) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-N-methylcyclopentanamine
PubChem CID170541802
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(5,5-dimethylhexyl)-N-methylcyclopentanamine
SMILESCN(CCCCC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H29N/c1-14(2,3)11-7-8-12-15(4)13-9-5-6-10-13/h13H,5-12H2,1-4H3
InChIKeyPSEPYGAWLRKPAC-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N-methyl-N-pentylcyclobutanamine
CID 142562644
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
N-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133
N-(6-chlorohexyl)-N-methylcycloheptanamine
CID 62228773
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122136
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-N-methylcyclopentanamine?
The IUPAC name of N-(5,5-dimethylhexyl)-N-methylcyclopentanamine (CID 170541802) is N-(5,5-dimethylhexyl)-N-methylcyclopentanamine.
What is the SMILES notation for N-(5,5-dimethylhexyl)-N-methylcyclopentanamine?
The canonical SMILES for N-(5,5-dimethylhexyl)-N-methylcyclopentanamine is CN(CCCCC(C)(C)C)C1CCCC1.
What is the InChIKey of N-(5,5-dimethylhexyl)-N-methylcyclopentanamine?
The InChIKey is PSEPYGAWLRKPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-14(2,3)11-7-8-12-15(4)13-9-5-6-10-13/h13H,5-12H2,1-4H3.
What are the key properties of N-(5,5-dimethylhexyl)-N-methylcyclopentanamine?
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine has a molecular weight of 211.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-N-methylcyclopentanamine is sourced from PubChem (CID 170541802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).