2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline

C17H28N2 — CID 103958669

IUPAC2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
SMILESCC[C@H](N)c1ccccc1N(C)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-16(18)15-11-7-8-12-17(15)19(2)13-14-9-5-4-6-10-14/h7-8,11-12,14,16H,3-6,9-10,13,18H2,1-2H3/t16-/m0/s1
InChIKeyLIFFTQPIIVWBQM-INIZCTEOSA-N
MW260.43 g/mol
LogP4.11
Rot. Bonds5

About 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline

2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline (PubChem CID 103958669) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
PubChem CID103958669
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
SMILESCC[C@H](N)c1ccccc1N(C)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-16(18)15-11-7-8-12-17(15)19(2)13-14-9-5-4-6-10-14/h7-8,11-12,14,16H,3-6,9-10,13,18H2,1-2H3/t16-/m0/s1
InChIKeyLIFFTQPIIVWBQM-INIZCTEOSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline (CID 103958669) is 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline is CC[C@H](N)c1ccccc1N(C)CC1CCCCC1.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline?
The InChIKey is LIFFTQPIIVWBQM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-16(18)15-11-7-8-12-17(15)19(2)13-14-9-5-4-6-10-14/h7-8,11-12,14,16H,3-6,9-10,13,18H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline?
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline has a molecular weight of 260.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline is sourced from PubChem (CID 103958669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).