N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine

C18H38N2 — CID 63482009

IUPACN-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(CC(C)C)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C18H38N2/c1-7-20(13-16(2)3)15-18(11-9-8-10-12-18)14-19-17(4,5)6/h16,19H,7-15H2,1-6H3
InChIKeyXPPDTIMGIQIAAH-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds7

About N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine

N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 63482009) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID63482009
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(CC(C)C)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C18H38N2/c1-7-20(13-16(2)3)15-18(11-9-8-10-12-18)14-19-17(4,5)6/h16,19H,7-15H2,1-6H3
InChIKeyXPPDTIMGIQIAAH-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 55051768
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63692305
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
N-[[1-[[bis(prop-2-enyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62264243
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine (CID 63482009) is N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine is CCN(CC(C)C)CC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is XPPDTIMGIQIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-20(13-16(2)3)15-18(11-9-8-10-12-18)14-19-17(4,5)6/h16,19H,7-15H2,1-6H3.
What are the key properties of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 63482009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).