3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide

C14H21N3O2 — CID 82991043

IUPAC3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCC2(CO)CC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)13(19)10-3-4-12(11(15)7-10)16-8-14(9-18)5-6-14/h3-4,7,16,18H,5-6,8-9,15H2,1-2H3
InChIKeyDSJZZNKKBPXQSR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.15
Rot. Bonds5

About 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide

3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide (PubChem CID 82991043) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
PubChem CID82991043
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCC2(CO)CC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)13(19)10-3-4-12(11(15)7-10)16-8-14(9-18)5-6-14/h3-4,7,16,18H,5-6,8-9,15H2,1-2H3
InChIKeyDSJZZNKKBPXQSR-UHFFFAOYSA-N
XLogP1.15
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 82992962
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
3-amino-4-[(2-hydroxy-4-methylpentyl)amino]-N,N-dimethylbenzamide
CID 107151184
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide (CID 82991043) is 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCC2(CO)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide?
The InChIKey is DSJZZNKKBPXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)13(19)10-3-4-12(11(15)7-10)16-8-14(9-18)5-6-14/h3-4,7,16,18H,5-6,8-9,15H2,1-2H3.
What are the key properties of 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide?
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82991043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).