N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine

C16H26N2 — CID 55190297

IUPACN-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
SMILESC[C@H](N)c1ccccc1N(C)C1CCCCCC1
InChIInChI=1S/C16H26N2/c1-13(17)15-11-7-8-12-16(15)18(2)14-9-5-3-4-6-10-14/h7-8,11-14H,3-6,9-10,17H2,1-2H3/t13-/m0/s1
InChIKeyHJIZMTJRINTIFK-ZDUSSCGKSA-N
MW246.40 g/mol
LogP3.87
Rot. Bonds3

About N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine

N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine (PubChem CID 55190297) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
PubChem CID55190297
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
SMILESC[C@H](N)c1ccccc1N(C)C1CCCCCC1
InChIInChI=1S/C16H26N2/c1-13(17)15-11-7-8-12-16(15)18(2)14-9-5-3-4-6-10-14/h7-8,11-14H,3-6,9-10,17H2,1-2H3/t13-/m0/s1
InChIKeyHJIZMTJRINTIFK-ZDUSSCGKSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 78934792
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CID 78935534
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
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CID 82972417
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
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2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677774
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine (CID 55190297) is N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine is C[C@H](N)c1ccccc1N(C)C1CCCCCC1.
What is the InChIKey of N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine?
The InChIKey is HJIZMTJRINTIFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(17)15-11-7-8-12-16(15)18(2)14-9-5-3-4-6-10-14/h7-8,11-14H,3-6,9-10,17H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine?
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine has a molecular weight of 246.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 55190297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).