N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine

C17H28N2 — CID 43614157

IUPACN-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
SMILESCNC(C)c1ccc(N(C)C2CCCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(18-2)15-10-12-17(13-11-15)19(3)16-8-6-4-5-7-9-16/h10-14,16,18H,4-9H2,1-3H3
InChIKeyXMCHBFOFDLEJSE-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds4

About N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine

N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine (PubChem CID 43614157) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
PubChem CID43614157
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
SMILESCNC(C)c1ccc(N(C)C2CCCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(18-2)15-10-12-17(13-11-15)19(3)16-8-6-4-5-7-9-16/h10-14,16,18H,4-9H2,1-3H3
InChIKeyXMCHBFOFDLEJSE-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
CID 63371082
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 43284542
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232
1-[4-[cyclopentyl(methyl)amino]phenyl]propan-1-ol
CID 114066765
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 19871677
N-[4-[(1S)-1-aminoethyl]phenyl]-N-methyloxan-4-amine
CID 55189766

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine?
The IUPAC name of N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine (CID 43614157) is N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine.
What is the SMILES notation for N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine?
The canonical SMILES for N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine is CNC(C)c1ccc(N(C)C2CCCCCC2)cc1.
What is the InChIKey of N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine?
The InChIKey is XMCHBFOFDLEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(18-2)15-10-12-17(13-11-15)19(3)16-8-6-4-5-7-9-16/h10-14,16,18H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine?
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine is sourced from PubChem (CID 43614157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).