[4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone

C24H33N3O — CID 58625047

IUPAC[4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone
SMILESCN(CCCNCc1cc(C(=O)c2ccccc2)ccc1N)C1CCCCC1
InChIInChI=1S/C24H33N3O/c1-27(22-11-6-3-7-12-22)16-8-15-26-18-21-17-20(13-14-23(21)25)24(28)19-9-4-2-5-10-19/h2,4-5,9-10,13-14,17,22,26H,3,6-8,11-12,15-16,18,25H2,1H3
InChIKeyWICBVZRUUWYEEE-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.24
Rot. Bonds9

About [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone

[4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone (PubChem CID 58625047) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone
PubChem CID58625047
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name[4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone
SMILESCN(CCCNCc1cc(C(=O)c2ccccc2)ccc1N)C1CCCCC1
InChIInChI=1S/C24H33N3O/c1-27(22-11-6-3-7-12-22)16-8-15-26-18-21-17-20(13-14-23(21)25)24(28)19-9-4-2-5-10-19/h2,4-5,9-10,13-14,17,22,26H,3,6-8,11-12,15-16,18,25H2,1H3
InChIKeyWICBVZRUUWYEEE-UHFFFAOYSA-N
XLogP4.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-4-nitrophenyl]-phenylmethanone
CID 68614275
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
CID 86924684
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 63451944
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126605
N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone (CID 58625047) is [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone is CN(CCCNCc1cc(C(=O)c2ccccc2)ccc1N)C1CCCCC1.
What is the InChIKey of [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone?
The InChIKey is WICBVZRUUWYEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-27(22-11-6-3-7-12-22)16-8-15-26-18-21-17-20(13-14-23(21)25)24(28)19-9-4-2-5-10-19/h2,4-5,9-10,13-14,17,22,26H,3,6-8,11-12,15-16,18,25H2,1H3.
What are the key properties of [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone?
[4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone has a molecular weight of 379.55 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 58625047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).