1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine

C15H30N2 — CID 65458490

IUPAC1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H30N2/c1-3-17(11-14-5-4-6-14)15(12-16)9-7-13(2)8-10-15/h13-14H,3-12,16H2,1-2H3
InChIKeyAROZIRRFFBUOSD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 65458490) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID65458490
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H30N2/c1-3-17(11-14-5-4-6-14)15(12-16)9-7-13(2)8-10-15/h13-14H,3-12,16H2,1-2H3
InChIKeyAROZIRRFFBUOSD-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylspiro[4.5]decan-8-amine
CID 107397723
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 107397649
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 107397751
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
CID 107397873
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79171980
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine
CID 65085096
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (CID 65458490) is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is CCN(CC1CCC1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is AROZIRRFFBUOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-17(11-14-5-4-6-14)15(12-16)9-7-13(2)8-10-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).