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

C19H32N2 — CID 105176331

IUPAC4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(c1ccc(N(C)C)cc1)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-15-20-19(16-9-7-5-6-8-10-16)17-11-13-18(14-12-17)21(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3
InChIKeyBZACMFNNJZRGHJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline

4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline (PubChem CID 105176331) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
PubChem CID105176331
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(c1ccc(N(C)C)cc1)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-15-20-19(16-9-7-5-6-8-10-16)17-11-13-18(14-12-17)21(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3
InChIKeyBZACMFNNJZRGHJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
CID 11140320
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline (CID 105176331) is 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline is CCCNC(c1ccc(N(C)C)cc1)C1CCCCCC1.
What is the InChIKey of 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
The InChIKey is BZACMFNNJZRGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-15-20-19(16-9-7-5-6-8-10-16)17-11-13-18(14-12-17)21(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3.
What are the key properties of 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline?
4-[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 4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105176331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).