N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine

C16H32N2 — CID 113441998

IUPACN-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
SMILESCCC1CCCCCN1CCCNC1CCCC1
InChIInChI=1S/C16H32N2/c1-2-16-11-4-3-7-13-18(16)14-8-12-17-15-9-5-6-10-15/h15-17H,2-14H2,1H3
InChIKeyVHFCDUNSFYVHSR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds6

About N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine

N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine (PubChem CID 113441998) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
PubChem CID113441998
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
SMILESCCC1CCCCCN1CCCNC1CCCC1
InChIInChI=1S/C16H32N2/c1-2-16-11-4-3-7-13-18(16)14-8-12-17-15-9-5-6-10-15/h15-17H,2-14H2,1H3
InChIKeyVHFCDUNSFYVHSR-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
1-dodecyl-2-ethylpiperidine
CID 171569899
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
N-[2-(2-ethylpiperidin-1-yl)ethyl]oxolan-3-amine
CID 115689238
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine (CID 113441998) is N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine is CCC1CCCCCN1CCCNC1CCCC1.
What is the InChIKey of N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine?
The InChIKey is VHFCDUNSFYVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-16-11-4-3-7-13-18(16)14-8-12-17-15-9-5-6-10-15/h15-17H,2-14H2,1H3.
What are the key properties of N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine?
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 113441998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).