N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine

C14H29N — CID 107897327

IUPACN-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine
SMILESCCCNCC1(C(C)CCC)CCCC1
InChIInChI=1S/C14H29N/c1-4-8-13(3)14(9-6-7-10-14)12-15-11-5-2/h13,15H,4-12H2,1-3H3
InChIKeyLPYJRSGROGFHTH-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds7

About N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine

N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine (PubChem CID 107897327) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine
PubChem CID107897327
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine
SMILESCCCNCC1(C(C)CCC)CCCC1
InChIInChI=1S/C14H29N/c1-4-8-13(3)14(9-6-7-10-14)12-15-11-5-2/h13,15H,4-12H2,1-3H3
InChIKeyLPYJRSGROGFHTH-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
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

4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
3-Cyclopentylpyrrolidine
CID 18337179
3-(3,3-Dimethylbutyl)pyrrolidine
CID 59148051
2-tert-butyl-N-methylcyclopentan-1-amine
CID 62603300
7-Methyl-2-azaspiro[4.4]nonane hydrochloride
CID 75412057
5-Methyl-2-azaspiro[5.5]undecane
CID 75420881
2-(2,2-Dimethylcyclopentyl)ethan-1-amine
CID 79862458
4-(Fluoromethyl)-2-azaspiro[4.4]nonane
CID 121199384
Methyl(cyclopentyl-propyl)amine
CID 4630071
3-Cyclopentylpiperidine
CID 21963850
N-(Cyclopentylmethyl)propan-1-amine
CID 43163755
2-methyl-N-propyloctan-1-amine
CID 62529682

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine (CID 107897327) is N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine is CCCNCC1(C(C)CCC)CCCC1.
What is the InChIKey of N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine?
The InChIKey is LPYJRSGROGFHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-8-13(3)14(9-6-7-10-14)12-15-11-5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine?
N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107897327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).