2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline

C17H28N2 — CID 103958672

IUPAC2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC[C@@H](N)c1ccccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C17H28N2/c1-4-16(18)15-10-5-6-11-17(15)19(3)14-9-7-8-13(2)12-14/h5-6,10-11,13-14,16H,4,7-9,12,18H2,1-3H3/t13?,14?,16-/m1/s1
InChIKeySEULRHUZBGVZHS-ZBCRRDGASA-N
MW260.43 g/mol
LogP4.11
Rot. Bonds4

About 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline

2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 103958672) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID103958672
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC[C@@H](N)c1ccccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C17H28N2/c1-4-16(18)15-10-5-6-11-17(15)19(3)14-9-7-8-13(2)12-14/h5-6,10-11,13-14,16H,4,7-9,12,18H2,1-3H3/t13?,14?,16-/m1/s1
InChIKeySEULRHUZBGVZHS-ZBCRRDGASA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 103958750
N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine
CID 113358796
[2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
6-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)pyridin-3-amine
CID 103937129
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline (CID 103958672) is 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline is CC[C@@H](N)c1ccccc1N(C)C1CCCC(C)C1.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is SEULRHUZBGVZHS-ZBCRRDGASA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16(18)15-10-5-6-11-17(15)19(3)14-9-7-8-13(2)12-14/h5-6,10-11,13-14,16H,4,7-9,12,18H2,1-3H3/t13?,14?,16-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 103958672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).