2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine

C22H33N5 — CID 151270644

IUPAC2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine
SMILESCNC1(N(C)C)CCCCC1(NCc1ccccc1)N(N)c1ccccc1
InChIInChI=1S/C22H33N5/c1-24-21(26(2)3)16-10-11-17-22(21,25-18-19-12-6-4-7-13-19)27(23)20-14-8-5-9-15-20/h4-9,12-15,24-25H,10-11,16-18,23H2,1-3H3
InChIKeyNWHCBHAUNSZCKZ-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.90
Rot. Bonds7

About 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine

2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine (PubChem CID 151270644) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine.

Molecular Properties

Compound Name2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine
PubChem CID151270644
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine
SMILESCNC1(N(C)C)CCCCC1(NCc1ccccc1)N(N)c1ccccc1
InChIInChI=1S/C22H33N5/c1-24-21(26(2)3)16-10-11-17-22(21,25-18-19-12-6-4-7-13-19)27(23)20-14-8-5-9-15-20/h4-9,12-15,24-25H,10-11,16-18,23H2,1-3H3
InChIKeyNWHCBHAUNSZCKZ-UHFFFAOYSA-N
XLogP2.90
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine
CID 130573796
N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
CID 11243123
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
1-(aminomethyl)-N-benzylcyclobutan-1-amine
CID 79521095
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine
CID 101129469
N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
CID 115635128
1-(aminomethyl)-N-benzyl-2-methylcyclopentan-1-amine
CID 65384422

Frequently Asked Questions

What is the IUPAC name of 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine?
The IUPAC name of 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine (CID 151270644) is 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine.
What is the SMILES notation for 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine?
The canonical SMILES for 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine is CNC1(N(C)C)CCCCC1(NCc1ccccc1)N(N)c1ccccc1.
What is the InChIKey of 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine?
The InChIKey is NWHCBHAUNSZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-24-21(26(2)3)16-10-11-17-22(21,25-18-19-12-6-4-7-13-19)27(23)20-14-8-5-9-15-20/h4-9,12-15,24-25H,10-11,16-18,23H2,1-3H3.
What are the key properties of 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine?
2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine has a molecular weight of 367.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine is sourced from PubChem (CID 151270644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).