N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine

C19H32N2 — CID 43614164

IUPACN-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
SMILESCCCNC(C)c1ccccc1N(C)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-15-20-16(2)18-13-9-10-14-19(18)21(3)17-11-7-5-6-8-12-17/h9-10,13-14,16-17,20H,4-8,11-12,15H2,1-3H3
InChIKeyIFLBUJIEBLXDEX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.91
Rot. Bonds6

About N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine

N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine (PubChem CID 43614164) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
PubChem CID43614164
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
SMILESCCCNC(C)c1ccccc1N(C)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-15-20-16(2)18-13-9-10-14-19(18)21(3)17-11-7-5-6-8-12-17/h9-10,13-14,16-17,20H,4-8,11-12,15H2,1-3H3
InChIKeyIFLBUJIEBLXDEX-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
CID 43648827
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677774
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638
N-ethyl-N-phenyl-2-[1-(propylamino)ethyl]aniline
CID 43284277
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
N-benzyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284092
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
The IUPAC name of N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine (CID 43614164) is N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine.
What is the SMILES notation for N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
The canonical SMILES for N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine is CCCNC(C)c1ccccc1N(C)C1CCCCCC1.
What is the InChIKey of N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
The InChIKey is IFLBUJIEBLXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-15-20-16(2)18-13-9-10-14-19(18)21(3)17-11-7-5-6-8-12-17/h9-10,13-14,16-17,20H,4-8,11-12,15H2,1-3H3.
What are the key properties of N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine?
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine has a molecular weight of 288.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine is sourced from PubChem (CID 43614164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).