2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine

C16H32N2 — CID 62615779

IUPAC2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
SMILESCCN(CC1CCCCCC1NC)C1CCCC1
InChIInChI=1S/C16H32N2/c1-3-18(15-10-7-8-11-15)13-14-9-5-4-6-12-16(14)17-2/h14-17H,3-13H2,1-2H3
InChIKeyXJPQVBNLBAZXTH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine

2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine (PubChem CID 62615779) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
PubChem CID62615779
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
SMILESCCN(CC1CCCCCC1NC)C1CCCC1
InChIInChI=1S/C16H32N2/c1-3-18(15-10-7-8-11-15)13-14-9-5-4-6-12-16(14)17-2/h14-17H,3-13H2,1-2H3
InChIKeyXJPQVBNLBAZXTH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[cyclobutyl-[[2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870950
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 64519877
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 78991239
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
2-[[ethyl(2-methylpropyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62614308
N,N-diethylcycloundecanamine
CID 163828609
N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
CID 102997195
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 63493764

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine (CID 62615779) is 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine is CCN(CC1CCCCCC1NC)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine?
The InChIKey is XJPQVBNLBAZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-18(15-10-7-8-11-15)13-14-9-5-4-6-12-16(14)17-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine?
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62615779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).