2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide

C16H25N3O — CID 79731243

IUPAC2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)16(20)11-12-3-7-14(8-4-12)18-15-9-5-13(17)6-10-15/h3-4,7-8,13,15,18H,5-6,9-11,17H2,1-2H3
InChIKeyDAHUYHGAXZNFAI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide

2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide (PubChem CID 79731243) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
PubChem CID79731243
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)16(20)11-12-3-7-14(8-4-12)18-15-9-5-13(17)6-10-15/h3-4,7-8,13,15,18H,5-6,9-11,17H2,1-2H3
InChIKeyDAHUYHGAXZNFAI-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
CID 115149662
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
CID 79462759
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide (CID 79731243) is 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NC2CCC(N)CC2)cc1.
What is the InChIKey of 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is DAHUYHGAXZNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)16(20)11-12-3-7-14(8-4-12)18-15-9-5-13(17)6-10-15/h3-4,7-8,13,15,18H,5-6,9-11,17H2,1-2H3.
What are the key properties of 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide?
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 275.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 79731243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).