2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide

C9H19N3O — CID 118410160

IUPAC2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1CC(N)C(C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-5(2)12-6-3-7(9(11)13)8(10)4-6/h5-8,12H,3-4,10H2,1-2H3,(H2,11,13)
InChIKeySDZKNSDXEVIWEW-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.42
Rot. Bonds3

About 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide

2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 118410160) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID118410160
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1CC(N)C(C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-5(2)12-6-3-7(9(11)13)8(10)4-6/h5-8,12H,3-4,10H2,1-2H3,(H2,11,13)
InChIKeySDZKNSDXEVIWEW-UHFFFAOYSA-N
XLogP-0.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-aminocyclopropane-1-carboxamide
CID 89465194
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
trans-(1S,2S)-2-aminocyclobutane-1-carboxamide
CID 97301417
methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid
CID 68805154
trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
CID 130399557
N-[[3-(propan-2-ylamino)cyclobutyl]methyl]acetamide
CID 121357646
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
N-[3-(propan-2-ylamino)azetidin-1-yl]acetamide
CID 164713767
cis-(1R,2S)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxamide
CID 55283762
4-N-propan-2-ylcyclohexane-1,4-diamine
CID 23346808

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 118410160) is 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)NC1CC(N)C(C(N)=O)C1.
What is the InChIKey of 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is SDZKNSDXEVIWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-5(2)12-6-3-7(9(11)13)8(10)4-6/h5-8,12H,3-4,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide?
2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 118410160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).