(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide

C13H25N3O — CID 66568028

IUPAC(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide
SMILESC[C@H](N)C(=O)NC1CCC(N(C)C2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-9(14)13(17)15-10-3-5-11(6-4-10)16(2)12-7-8-12/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t9-,10?,11?/m0/s1
InChIKeyZEKNMOYSTCUUIH-WHXUTIOJSA-N
MW239.36 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide

(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide (PubChem CID 66568028) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide
PubChem CID66568028
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide
SMILESC[C@H](N)C(=O)NC1CCC(N(C)C2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-9(14)13(17)15-10-3-5-11(6-4-10)16(2)12-7-8-12/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t9-,10?,11?/m0/s1
InChIKeyZEKNMOYSTCUUIH-WHXUTIOJSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[3-(dimethylamino)cyclopentyl]propanamide
CID 131172237
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-N-(2,6-dimethylcyclohexyl)propanamide
CID 86248959
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide
CID 119344557
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243
(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
2-[2-aminopropyl(methyl)amino]-N-cyclopropylpropanamide
CID 63758992

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide (CID 66568028) is (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide is C[C@H](N)C(=O)NC1CCC(N(C)C2CC2)CC1.
What is the InChIKey of (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide?
The InChIKey is ZEKNMOYSTCUUIH-WHXUTIOJSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(14)13(17)15-10-3-5-11(6-4-10)16(2)12-7-8-12/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide?
(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide is sourced from PubChem (CID 66568028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).