N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine

C10H17N5O2 — CID 63886836

IUPACN-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC1(CN)CCCC1
InChIInChI=1S/C10H17N5O2/c1-14-7-12-8(15(16)17)9(14)13-10(6-11)4-2-3-5-10/h7,13H,2-6,11H2,1H3
InChIKeySLYOJEKKBLPKFC-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.01
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine

N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine (PubChem CID 63886836) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine
PubChem CID63886836
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC1(CN)CCCC1
InChIInChI=1S/C10H17N5O2/c1-14-7-12-8(15(16)17)9(14)13-10(6-11)4-2-3-5-10/h7,13H,2-6,11H2,1H3
InChIKeySLYOJEKKBLPKFC-UHFFFAOYSA-N
XLogP1.01
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine (CID 63886836) is N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine is Cn1cnc([N+](=O)[O-])c1NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine?
The InChIKey is SLYOJEKKBLPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-7-12-8(15(16)17)9(14)13-10(6-11)4-2-3-5-10/h7,13H,2-6,11H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine?
N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 63886836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).