3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide

C9H18N4O — CID 10012974

IUPAC3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C9H18N4O/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,13,14)
InChIKeyYLJXZSWHZFXCDY-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.44
Rot. Bonds4

About 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide

3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide (PubChem CID 10012974) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
PubChem CID10012974
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C9H18N4O/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,13,14)
InChIKeyYLJXZSWHZFXCDY-UHFFFAOYSA-N
XLogP-0.44
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid
CID 3058315
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119745932
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115739203
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide (CID 10012974) is 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide is [H]/N=C(\N)CCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide?
The InChIKey is YLJXZSWHZFXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,13,14).
What are the key properties of 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide?
3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 10012974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).