N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine

C19H30N2 — CID 63552456

IUPACN-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
SMILESCc1cc(CNC2CC2)ccc1N(C)C1CCCCCC1
InChIInChI=1S/C19H30N2/c1-15-13-16(14-20-17-10-11-17)9-12-19(15)21(2)18-7-5-3-4-6-8-18/h9,12-13,17-18,20H,3-8,10-11,14H2,1-2H3
InChIKeyRSLYLNQPWZTGPN-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine

N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine (PubChem CID 63552456) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
PubChem CID63552456
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
SMILESCc1cc(CNC2CC2)ccc1N(C)C1CCCCCC1
InChIInChI=1S/C19H30N2/c1-15-13-16(14-20-17-10-11-17)9-12-19(15)21(2)18-7-5-3-4-6-8-18/h9,12-13,17-18,20H,3-8,10-11,14H2,1-2H3
InChIKeyRSLYLNQPWZTGPN-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylthiolan-3-amine
CID 62119974
4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
CID 55222027
4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
CID 107085198
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine (CID 63552456) is N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine is Cc1cc(CNC2CC2)ccc1N(C)C1CCCCCC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine?
The InChIKey is RSLYLNQPWZTGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-13-16(14-20-17-10-11-17)9-12-19(15)21(2)18-7-5-3-4-6-8-18/h9,12-13,17-18,20H,3-8,10-11,14H2,1-2H3.
What are the key properties of N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine?
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine has a molecular weight of 286.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 63552456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).