N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline

C17H28N2 — CID 112677774

IUPACN-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1ccccc1N(C)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-4-16(18-2)15-12-8-9-13-17(15)19(3)14-10-6-5-7-11-14/h8-9,12-14,16,18H,4-7,10-11H2,1-3H3
InChIKeyFGSRGUOXTCQGHA-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline

N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline (PubChem CID 112677774) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
PubChem CID112677774
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1ccccc1N(C)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-4-16(18-2)15-12-8-9-13-17(15)19(3)14-10-6-5-7-11-14/h8-9,12-14,16,18H,4-7,10-11H2,1-3H3
InChIKeyFGSRGUOXTCQGHA-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
CID 112678050
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline?
The IUPAC name of N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline (CID 112677774) is N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline is CCC(NC)c1ccccc1N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline?
The InChIKey is FGSRGUOXTCQGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16(18-2)15-12-8-9-13-17(15)19(3)14-10-6-5-7-11-14/h8-9,12-14,16,18H,4-7,10-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline?
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline is sourced from PubChem (CID 112677774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).