3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline

C19H32N2 — CID 105176253

IUPAC3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(c1cccc(N(C)C)c1)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-14-20-19(16-10-7-5-6-8-11-16)17-12-9-13-18(15-17)21(2)3/h9,12-13,15-16,19-20H,4-8,10-11,14H2,1-3H3
InChIKeyNXYOQONLVMSZTB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline

3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline (PubChem CID 105176253) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
PubChem CID105176253
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(c1cccc(N(C)C)c1)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-14-20-19(16-10-7-5-6-8-11-16)17-12-9-13-18(15-17)21(2)3/h9,12-13,15-16,19-20H,4-8,10-11,14H2,1-3H3
InChIKeyNXYOQONLVMSZTB-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
CID 11140320
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536
3-[ethylamino-(2-ethylcyclohexyl)methyl]-N,N-dimethylaniline
CID 105151275

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline (CID 105176253) is 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline is CCCNC(c1cccc(N(C)C)c1)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
The InChIKey is NXYOQONLVMSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-14-20-19(16-10-7-5-6-8-11-16)17-12-9-13-18(15-17)21(2)3/h9,12-13,15-16,19-20H,4-8,10-11,14H2,1-3H3.
What are the key properties of 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105176253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).