3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide

C13H25N3O — CID 122080572

IUPAC3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN)(NC(=O)C1CCCC(N)C1)C1CC1
InChIInChI=1S/C13H25N3O/c1-13(8-14,10-5-6-10)16-12(17)9-3-2-4-11(15)7-9/h9-11H,2-8,14-15H2,1H3,(H,16,17)
InChIKeyDOGCZEZXTZFQLK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.75
Rot. Bonds4

About 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide

3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 122080572) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID122080572
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN)(NC(=O)C1CCCC(N)C1)C1CC1
InChIInChI=1S/C13H25N3O/c1-13(8-14,10-5-6-10)16-12(17)9-3-2-4-11(15)7-9/h9-11H,2-8,14-15H2,1H3,(H,16,17)
InChIKeyDOGCZEZXTZFQLK-UHFFFAOYSA-N
XLogP0.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
CID 63045589
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119574482
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide
CID 159180079

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide (CID 122080572) is 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide is CC(CN)(NC(=O)C1CCCC(N)C1)C1CC1.
What is the InChIKey of 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is DOGCZEZXTZFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(8-14,10-5-6-10)16-12(17)9-3-2-4-11(15)7-9/h9-11H,2-8,14-15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide?
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122080572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).