4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline

C18H30N2 — CID 11140320

IUPAC4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
SMILESCCCCNC(c1ccc(N(C)C)cc1)C1CCCC1
InChIInChI=1S/C18H30N2/c1-4-5-14-19-18(15-8-6-7-9-15)16-10-12-17(13-11-16)20(2)3/h10-13,15,18-19H,4-9,14H2,1-3H3
InChIKeyRDMXGAPQFPSQKV-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.37
Rot. Bonds7

About 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline

4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline (PubChem CID 11140320) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
PubChem CID11140320
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
SMILESCCCCNC(c1ccc(N(C)C)cc1)C1CCCC1
InChIInChI=1S/C18H30N2/c1-4-5-14-19-18(15-8-6-7-9-15)16-10-12-17(13-11-16)20(2)3/h10-13,15,18-19H,4-9,14H2,1-3H3
InChIKeyRDMXGAPQFPSQKV-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.37
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 19871677
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
4-[(4-ethylcyclohexyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105313006
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906

Frequently Asked Questions

What is the IUPAC name of 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline (CID 11140320) is 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline is CCCCNC(c1ccc(N(C)C)cc1)C1CCCC1.
What is the InChIKey of 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline?
The InChIKey is RDMXGAPQFPSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-14-19-18(15-8-6-7-9-15)16-10-12-17(13-11-16)20(2)3/h10-13,15,18-19H,4-9,14H2,1-3H3.
What are the key properties of 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline?
4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 11140320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).