2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline

C18H30N2 — CID 69154711

IUPAC2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
SMILESCC(CC1CCCCC1)NCc1ccccc1N(C)C
InChIInChI=1S/C18H30N2/c1-15(13-16-9-5-4-6-10-16)19-14-17-11-7-8-12-18(17)20(2)3/h7-8,11-12,15-16,19H,4-6,9-10,13-14H2,1-3H3
InChIKeyJGLOXVCQDVUOGI-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds6

About 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline

2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline (PubChem CID 69154711) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
PubChem CID69154711
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
SMILESCC(CC1CCCCC1)NCc1ccccc1N(C)C
InChIInChI=1S/C18H30N2/c1-15(13-16-9-5-4-6-10-16)19-14-17-11-7-8-12-18(17)20(2)3/h7-8,11-12,15-16,19H,4-6,9-10,13-14H2,1-3H3
InChIKeyJGLOXVCQDVUOGI-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1-propan-2-ylthiourea
CID 89312440
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1-propan-2-ylurea
CID 154205114
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 69154432
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-(2-methylphenyl)sulfonylcarbamic acid;hydrochloride
CID 68948164
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-N-(2,3-dihydroxypropyl)methanesulfonamide
CID 146000039
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline (CID 69154711) is 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline is CC(CC1CCCCC1)NCc1ccccc1N(C)C.
What is the InChIKey of 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline?
The InChIKey is JGLOXVCQDVUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(13-16-9-5-4-6-10-16)19-14-17-11-7-8-12-18(17)20(2)3/h7-8,11-12,15-16,19H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline?
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 69154711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).