cyclopropane-1,1-diamine;hydrochloride

C3H9ClN2 — CID 141361875

IUPACcyclopropane-1,1-diamine;hydrochloride
SMILESCl.NC1(N)CC1
InChIInChI=1S/C3H8N2.ClH/c4-3(5)1-2-3;/h1-2,4-5H2;1H
InChIKeyRYTVWVFPNHTYCA-UHFFFAOYSA-N
MW108.57 g/mol
LogP-0.18
Rot. Bonds

About cyclopropane-1,1-diamine;hydrochloride

cyclopropane-1,1-diamine;hydrochloride (PubChem CID 141361875) has the molecular formula C3H9ClN2 and a molecular weight of 108.57 g/mol. Its IUPAC name is cyclopropane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Namecyclopropane-1,1-diamine;hydrochloride
PubChem CID141361875
Molecular FormulaC3H9ClN2
Molecular Weight108.57 g/mol
Exact Mass108.05
IUPAC Namecyclopropane-1,1-diamine;hydrochloride
SMILESCl.NC1(N)CC1
InChIInChI=1S/C3H8N2.ClH/c4-3(5)1-2-3;/h1-2,4-5H2;1H
InChIKeyRYTVWVFPNHTYCA-UHFFFAOYSA-N
XLogP-0.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.57
LogP ≤ 5-0.18
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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Related Compounds

bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
cyclohexane-1,1-diamine;dichloroplatinum
CID 21280166
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449
bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
CID 131886465
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 70518609
4-(iminomethylideneamino)cyclohexane-1,1-diamine
CID 176812578
(4,4-diaminocyclohexyl) acetate
CID 174708289
2-(1-aminocyclopentyl)propan-2-ol;hydrochloride
CID 67001422

Frequently Asked Questions

What is the IUPAC name of cyclopropane-1,1-diamine;hydrochloride?
The IUPAC name of cyclopropane-1,1-diamine;hydrochloride (CID 141361875) is cyclopropane-1,1-diamine;hydrochloride.
What is the SMILES notation for cyclopropane-1,1-diamine;hydrochloride?
The canonical SMILES for cyclopropane-1,1-diamine;hydrochloride is Cl.NC1(N)CC1.
What is the InChIKey of cyclopropane-1,1-diamine;hydrochloride?
The InChIKey is RYTVWVFPNHTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.ClH/c4-3(5)1-2-3;/h1-2,4-5H2;1H.
What are the key properties of cyclopropane-1,1-diamine;hydrochloride?
cyclopropane-1,1-diamine;hydrochloride has a molecular weight of 108.57 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane-1,1-diamine;hydrochloride is sourced from PubChem (CID 141361875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).