N'-(cyclopenten-1-yl)methanediamine;hydrochloride

C6H13ClN2 — CID 67709379

IUPACN'-(cyclopenten-1-yl)methanediamine;hydrochloride
SMILESCl.NCNC1=CCCC1
InChIInChI=1S/C6H12N2.ClH/c7-5-8-6-3-1-2-4-6;/h3,8H,1-2,4-5,7H2;1H
InChIKeySKKPSUZPJXTYBW-UHFFFAOYSA-N
MW148.64 g/mol
LogP0.98
Rot. Bonds2

About N'-(cyclopenten-1-yl)methanediamine;hydrochloride

N'-(cyclopenten-1-yl)methanediamine;hydrochloride (PubChem CID 67709379) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is N'-(cyclopenten-1-yl)methanediamine;hydrochloride.

Molecular Properties

Compound NameN'-(cyclopenten-1-yl)methanediamine;hydrochloride
PubChem CID67709379
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC NameN'-(cyclopenten-1-yl)methanediamine;hydrochloride
SMILESCl.NCNC1=CCCC1
InChIInChI=1S/C6H12N2.ClH/c7-5-8-6-3-1-2-4-6;/h3,8H,1-2,4-5,7H2;1H
InChIKeySKKPSUZPJXTYBW-UHFFFAOYSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopenten-1-yl)methanediamine;hydrochloride?
The IUPAC name of N'-(cyclopenten-1-yl)methanediamine;hydrochloride (CID 67709379) is N'-(cyclopenten-1-yl)methanediamine;hydrochloride.
What is the SMILES notation for N'-(cyclopenten-1-yl)methanediamine;hydrochloride?
The canonical SMILES for N'-(cyclopenten-1-yl)methanediamine;hydrochloride is Cl.NCNC1=CCCC1.
What is the InChIKey of N'-(cyclopenten-1-yl)methanediamine;hydrochloride?
The InChIKey is SKKPSUZPJXTYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-5-8-6-3-1-2-4-6;/h3,8H,1-2,4-5,7H2;1H.
What are the key properties of N'-(cyclopenten-1-yl)methanediamine;hydrochloride?
N'-(cyclopenten-1-yl)methanediamine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopenten-1-yl)methanediamine;hydrochloride is sourced from PubChem (CID 67709379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).