4-(azidomethyl)cyclopent-2-en-1-amine

C6H10N4 — CID 18753689

IUPAC4-(azidomethyl)cyclopent-2-en-1-amine
SMILES[N-]=[N+]=NCC1C=CC(N)C1
InChIInChI=1S/C6H10N4/c7-6-2-1-5(3-6)4-9-10-8/h1-2,5-6H,3-4,7H2
InChIKeyRQVLRXVRFXTLRP-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.20
Rot. Bonds2

About 4-(azidomethyl)cyclopent-2-en-1-amine

4-(azidomethyl)cyclopent-2-en-1-amine (PubChem CID 18753689) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(azidomethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(azidomethyl)cyclopent-2-en-1-amine
PubChem CID18753689
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name4-(azidomethyl)cyclopent-2-en-1-amine
SMILES[N-]=[N+]=NCC1C=CC(N)C1
InChIInChI=1S/C6H10N4/c7-6-2-1-5(3-6)4-9-10-8/h1-2,5-6H,3-4,7H2
InChIKeyRQVLRXVRFXTLRP-UHFFFAOYSA-N
XLogP1.20
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Methylcyclopent-2-en-1-amine
CID 20593561
(1S,4R)-4-methylcyclopent-2-en-1-amine
CID 59063048
(1R,4S)-4-methylcyclopent-2-en-1-amine
CID 59070786
3a,4,7,7a-tetrahydro-3H-indazol-7-amine
CID 90815776
4-Ethylcyclopent-2-en-1-amine
CID 123435445
(1R,4S)-4-ethylcyclopent-2-en-1-amine
CID 130325637
(1R)-4-ethylcyclopent-2-en-1-amine
CID 141887911
(4S)-4-methylcyclopent-2-en-1-amine
CID 174094517
4-(Aminomethyl)cyclopent-2-en-1-amine
CID 79211626
2-(Aminomethyl)cyclopent-3-en-1-amine
CID 130150348
(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-amine
CID 165897799

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(azidomethyl)cyclopent-2-en-1-amine (CID 18753689) is 4-(azidomethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(azidomethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(azidomethyl)cyclopent-2-en-1-amine is [N-]=[N+]=NCC1C=CC(N)C1.
What is the InChIKey of 4-(azidomethyl)cyclopent-2-en-1-amine?
The InChIKey is RQVLRXVRFXTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-6-2-1-5(3-6)4-9-10-8/h1-2,5-6H,3-4,7H2.
What are the key properties of 4-(azidomethyl)cyclopent-2-en-1-amine?
4-(azidomethyl)cyclopent-2-en-1-amine has a molecular weight of 138.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 18753689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).