3-cyclopropyliminopropanimidoyl chloride

C6H9ClN2 — CID 123541811

IUPAC3-cyclopropyliminopropanimidoyl chloride
SMILES[H]/N=C(\Cl)C/C=N/C1CC1
InChIInChI=1S/C6H9ClN2/c7-6(8)3-4-9-5-1-2-5/h4-5,8H,1-3H2/b8-6-,9-4+
InChIKeyDPXPGKKDKSPFIT-UNTFCYRVSA-N
MW144.60 g/mol
LogP1.83
Rot. Bonds3

About 3-cyclopropyliminopropanimidoyl chloride

3-cyclopropyliminopropanimidoyl chloride (PubChem CID 123541811) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 3-cyclopropyliminopropanimidoyl chloride.

Molecular Properties

Compound Name3-cyclopropyliminopropanimidoyl chloride
PubChem CID123541811
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name3-cyclopropyliminopropanimidoyl chloride
SMILES[H]/N=C(\Cl)C/C=N/C1CC1
InChIInChI=1S/C6H9ClN2/c7-6(8)3-4-9-5-1-2-5/h4-5,8H,1-3H2/b8-6-,9-4+
InChIKeyDPXPGKKDKSPFIT-UNTFCYRVSA-N
XLogP1.83
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-imino-3-(1-methylpiperidin-4-yl)iminopropan-1-amine
CID 123703373
3-cyclohexyliminopropanamide
CID 91368526
3-cyclohexyliminopropanethioamide
CID 91161039
3-cyclohexyliminopropanenitrile
CID 54514865
4-diazenylcyclohexan-1-amine
CID 153231015
1-cyclopropylpropan-2-imine
CID 146731572
N'-cyclobutyl-N-methylheptane-1,7-diimine
CID 155283432
2-ethoxyethanimidoyl chloride
CID 175467520
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene
CID 163581148
N'-(azetidin-3-yl)-1-[5-[(3-chlorophenyl)methyl]-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl]propane-1,3-diimine
CID 123442224
1-[3-[[3-[5-(4-chlorohepta-3,5-dienyl)-12-methyl-1,5,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl]-3-iminopropylidene]amino]azetidin-1-yl]ethanone
CID 123806688

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyliminopropanimidoyl chloride?
The IUPAC name of 3-cyclopropyliminopropanimidoyl chloride (CID 123541811) is 3-cyclopropyliminopropanimidoyl chloride.
What is the SMILES notation for 3-cyclopropyliminopropanimidoyl chloride?
The canonical SMILES for 3-cyclopropyliminopropanimidoyl chloride is [H]/N=C(\Cl)C/C=N/C1CC1.
What is the InChIKey of 3-cyclopropyliminopropanimidoyl chloride?
The InChIKey is DPXPGKKDKSPFIT-UNTFCYRVSA-N. The full InChI is InChI=1S/C6H9ClN2/c7-6(8)3-4-9-5-1-2-5/h4-5,8H,1-3H2/b8-6-,9-4+.
What are the key properties of 3-cyclopropyliminopropanimidoyl chloride?
3-cyclopropyliminopropanimidoyl chloride has a molecular weight of 144.60 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyliminopropanimidoyl chloride is sourced from PubChem (CID 123541811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).