4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline

C21H37N3 — CID 142934641

IUPAC4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
SMILESCC(C)CN(Cc1ccc(N(C)C)cc1)CC1CCC(CN)CC1
InChIInChI=1S/C21H37N3/c1-17(2)14-24(15-19-7-5-18(13-22)6-8-19)16-20-9-11-21(12-10-20)23(3)4/h9-12,17-19H,5-8,13-16,22H2,1-4H3
InChIKeyKGZAVDRXYBNKTP-UHFFFAOYSA-N
MW331.55 g/mol
LogP3.98
Rot. Bonds8

About 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline

4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline (PubChem CID 142934641) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
PubChem CID142934641
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
SMILESCC(C)CN(Cc1ccc(N(C)C)cc1)CC1CCC(CN)CC1
InChIInChI=1S/C21H37N3/c1-17(2)14-24(15-19-7-5-18(13-22)6-8-19)16-20-9-11-21(12-10-20)23(3)4/h9-12,17-19H,5-8,13-16,22H2,1-4H3
InChIKeyKGZAVDRXYBNKTP-UHFFFAOYSA-N
XLogP3.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline with MolForge

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
CID 23826295
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 142934260
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline (CID 142934641) is 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline is CC(C)CN(Cc1ccc(N(C)C)cc1)CC1CCC(CN)CC1.
What is the InChIKey of 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is KGZAVDRXYBNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3/c1-17(2)14-24(15-19-7-5-18(13-22)6-8-19)16-20-9-11-21(12-10-20)23(3)4/h9-12,17-19H,5-8,13-16,22H2,1-4H3.
What are the key properties of 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline?
4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 331.55 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 142934641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).