3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide

C14H29N3O — CID 82949436

IUPAC3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
SMILESCC(CN(C)C)NC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-11(10-17(2)3)16-14(18)9-6-12-4-7-13(15)8-5-12/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeySRZZGYOEMNGZNF-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

About 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide

3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide (PubChem CID 82949436) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
PubChem CID82949436
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
SMILESCC(CN(C)C)NC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-11(10-17(2)3)16-14(18)9-6-12-4-7-13(15)8-5-12/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeySRZZGYOEMNGZNF-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210092
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114
N-[1-(dimethylamino)propan-2-yl]-5-hydroxypentanamide
CID 82949799
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 115729568
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083
(2S)-2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 119360526

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide (CID 82949436) is 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide is CC(CN(C)C)NC(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide?
The InChIKey is SRZZGYOEMNGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(10-17(2)3)16-14(18)9-6-12-4-7-13(15)8-5-12/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide?
3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 82949436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).