N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine

C13H26N2 — CID 104963633

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2CCC(CN)CC2)C1
InChIInChI=1S/C13H26N2/c1-10-6-13(7-10)15-9-12-4-2-11(8-14)3-5-12/h10-13,15H,2-9,14H2,1H3
InChIKeyIKROADUVALFAHN-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.14
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine (PubChem CID 104963633) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
PubChem CID104963633
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2CCC(CN)CC2)C1
InChIInChI=1S/C13H26N2/c1-10-6-13(7-10)15-9-12-4-2-11(8-14)3-5-12/h10-13,15H,2-9,14H2,1H3
InChIKeyIKROADUVALFAHN-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine (CID 104963633) is N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine is CC1CC(NCC2CCC(CN)CC2)C1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine?
The InChIKey is IKROADUVALFAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-6-13(7-10)15-9-12-4-2-11(8-14)3-5-12/h10-13,15H,2-9,14H2,1H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 104963633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).