N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine

C13H26N2 — CID 114547242

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCC2(CN)CCC2)C1
InChIInChI=1S/C13H26N2/c1-11-3-4-12(9-11)15-8-7-13(10-14)5-2-6-13/h11-12,15H,2-10,14H2,1H3
InChIKeyCXYSHCYYGIKKDV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.28
Rot. Bonds5

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine (PubChem CID 114547242) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine
PubChem CID114547242
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCC2(CN)CCC2)C1
InChIInChI=1S/C13H26N2/c1-11-3-4-12(9-11)15-8-7-13(10-14)5-2-6-13/h11-12,15H,2-10,14H2,1H3
InChIKeyCXYSHCYYGIKKDV-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
CID 113440233
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylcyclopentan-1-amine
CID 114547350
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,2-dimethylcyclopropan-1-amine
CID 81170697
N-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 114544710
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
CID 130747190
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544560
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
CID 114547293

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine (CID 114547242) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine is CC1CCC(NCCC2(CN)CCC2)C1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is CXYSHCYYGIKKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-3-4-12(9-11)15-8-7-13(10-14)5-2-6-13/h11-12,15H,2-10,14H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114547242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).