2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine

C19H32N2 — CID 63495171

IUPAC2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN(C)c1cccc(C)c1
InChIInChI=1S/C19H32N2/c1-4-13-20-19-12-7-5-6-10-17(19)15-21(3)18-11-8-9-16(2)14-18/h8-9,11,14,17,19-20H,4-7,10,12-13,15H2,1-3H3
InChIKeyHFIHQYAAVITMQY-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds6

About 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine

2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine (PubChem CID 63495171) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
PubChem CID63495171
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN(C)c1cccc(C)c1
InChIInChI=1S/C19H32N2/c1-4-13-20-19-12-7-5-6-10-17(19)15-21(3)18-11-8-9-16(2)14-18/h8-9,11,14,17,19-20H,4-7,10,12-13,15H2,1-3H3
InChIKeyHFIHQYAAVITMQY-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
2-[(N,3-dimethylanilino)methyl]cyclopentan-1-ol
CID 62610095
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]-N,3-dimethylaniline
CID 63494608
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
CID 79577299
N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine
CID 63494639
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140

Frequently Asked Questions

What is the IUPAC name of 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine (CID 63495171) is 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1CN(C)c1cccc(C)c1.
What is the InChIKey of 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is HFIHQYAAVITMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-20-19-12-7-5-6-10-17(19)15-21(3)18-11-8-9-16(2)14-18/h8-9,11,14,17,19-20H,4-7,10,12-13,15H2,1-3H3.
What are the key properties of 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine?
2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).