N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

C19H38N2 — CID 107401614

IUPACN-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC1CCC1)CC1(CNCC(C)C)CCCCC1
InChIInChI=1S/C19H38N2/c1-4-21(14-18-9-8-10-18)16-19(11-6-5-7-12-19)15-20-13-17(2)3/h17-18,20H,4-16H2,1-3H3
InChIKeyZUKGYGZLKWLHJV-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds9

About N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 107401614) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID107401614
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC1CCC1)CC1(CNCC(C)C)CCCCC1
InChIInChI=1S/C19H38N2/c1-4-21(14-18-9-8-10-18)16-19(11-6-5-7-12-19)15-20-13-17(2)3/h17-18,20H,4-16H2,1-3H3
InChIKeyZUKGYGZLKWLHJV-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 107401676
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62256935
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 107401601
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopentyl]methanol
CID 107401743
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
N-[[1-(cyclopentylmethyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196171
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropyl]methanethiol
CID 107402951
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
N-ethyl-2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 55051768

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (CID 107401614) is N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is CCN(CC1CCC1)CC1(CNCC(C)C)CCCCC1.
What is the InChIKey of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZUKGYGZLKWLHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-21(14-18-9-8-10-18)16-19(11-6-5-7-12-19)15-20-13-17(2)3/h17-18,20H,4-16H2,1-3H3.
What are the key properties of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107401614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).