3-methyl-N-octylcyclopentan-1-amine

C14H29N — CID 115566670

IUPAC3-methyl-N-octylcyclopentan-1-amine
SMILESCCCCCCCCNC1CCC(C)C1
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-11-15-14-10-9-13(2)12-14/h13-15H,3-12H2,1-2H3
InChIKeyUELSMIXAXRYUEN-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.13
Rot. Bonds8

About 3-methyl-N-octylcyclopentan-1-amine

3-methyl-N-octylcyclopentan-1-amine (PubChem CID 115566670) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-methyl-N-octylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-octylcyclopentan-1-amine
PubChem CID115566670
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-methyl-N-octylcyclopentan-1-amine
SMILESCCCCCCCCNC1CCC(C)C1
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-11-15-14-10-9-13(2)12-14/h13-15H,3-12H2,1-2H3
InChIKeyUELSMIXAXRYUEN-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.13
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

N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
N-dodecylcyclohexanamine
CID 3679395
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-octylcyclopentan-1-amine?
The IUPAC name of 3-methyl-N-octylcyclopentan-1-amine (CID 115566670) is 3-methyl-N-octylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-octylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-octylcyclopentan-1-amine is CCCCCCCCNC1CCC(C)C1.
What is the InChIKey of 3-methyl-N-octylcyclopentan-1-amine?
The InChIKey is UELSMIXAXRYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-6-7-8-11-15-14-10-9-13(2)12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-methyl-N-octylcyclopentan-1-amine?
3-methyl-N-octylcyclopentan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-octylcyclopentan-1-amine is sourced from PubChem (CID 115566670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).