4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide

C14H21N3O — CID 79462597

IUPAC4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC2CCC(N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-16-14(18)11-4-2-10(3-5-11)9-17-13-7-6-12(15)8-13/h2-5,12-13,17H,6-9,15H2,1H3,(H,16,18)
InChIKeyMZHJMNXKICENCL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.02
Rot. Bonds4

About 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide

4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide (PubChem CID 79462597) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
PubChem CID79462597
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC2CCC(N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-16-14(18)11-4-2-10(3-5-11)9-17-13-7-6-12(15)8-13/h2-5,12-13,17H,6-9,15H2,1H3,(H,16,18)
InChIKeyMZHJMNXKICENCL-UHFFFAOYSA-N
XLogP1.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
4-[[(1,1-dioxothian-4-yl)amino]methyl]-N-methylbenzamide
CID 43511571
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
CID 104588896
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide (CID 79462597) is 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC2CCC(N)C2)cc1.
What is the InChIKey of 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide?
The InChIKey is MZHJMNXKICENCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-14(18)11-4-2-10(3-5-11)9-17-13-7-6-12(15)8-13/h2-5,12-13,17H,6-9,15H2,1H3,(H,16,18).
What are the key properties of 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide?
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 79462597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).