1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C19H38N2 — CID 107397649

IUPAC1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C19H38N2/c1-5-18(3,4)17-10-12-19(15-20,13-11-17)21(6-2)14-16-8-7-9-16/h16-17H,5-15,20H2,1-4H3
InChIKeyXGXSMEVUFOANGV-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds7

About 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 107397649) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID107397649
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C19H38N2/c1-5-18(3,4)17-10-12-19(15-20,13-11-17)21(6-2)14-16-8-7-9-16/h16-17H,5-15,20H2,1-4H3
InChIKeyXGXSMEVUFOANGV-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
8-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylspiro[4.5]decan-8-amine
CID 107397723
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,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N,4-diethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
CID 62009915
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749
1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43802703
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 107397649) is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCN(CC1CCC1)C1(CN)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is XGXSMEVUFOANGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-18(3,4)17-10-12-19(15-20,13-11-17)21(6-2)14-16-8-7-9-16/h16-17H,5-15,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 7 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-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 107397649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).