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

C18H36N2 — CID 107401676

IUPACN-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCCN(CC1CCC1)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C18H36N2/c1-4-20(13-17-9-8-10-17)15-18(14-19-16(2)3)11-6-5-7-12-18/h16-17,19H,4-15H2,1-3H3
InChIKeyIKTNNUVNTMETBK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds8

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

N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 107401676) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID107401676
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCCN(CC1CCC1)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C18H36N2/c1-4-20(13-17-9-8-10-17)15-18(14-19-16(2)3)11-6-5-7-12-18/h16-17,19H,4-15H2,1-3H3
InChIKeyIKTNNUVNTMETBK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 107401614
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 107401601
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopentyl]methanol
CID 107401743
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropyl]methanethiol
CID 107402951
N-(cyclobutylmethyl)-N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
CID 107399460
1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropan-1-amine
CID 107399406
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
CID 62263505
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]propan-2-amine?
The IUPAC name of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (CID 107401676) is N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is CCN(CC1CCC1)CC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is IKTNNUVNTMETBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-20(13-17-9-8-10-17)15-18(14-19-16(2)3)11-6-5-7-12-18/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 8 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]propan-2-amine is sourced from PubChem (CID 107401676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).