1-N-(1-cyclopropylethyl)propane-1,2-diimine

C8H14N2 — CID 123669963

IUPAC1-N-(1-cyclopropylethyl)propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C(C)C1CC1
InChIInChI=1S/C8H14N2/c1-6(9)5-10-7(2)8-3-4-8/h5,7-9H,3-4H2,1-2H3/b9-6+,10-5+
InChIKeyLPQNXYNDLOPTBE-TXFIJWAUSA-N
MW138.21 g/mol
LogP1.90
Rot. Bonds3

About 1-N-(1-cyclopropylethyl)propane-1,2-diimine

1-N-(1-cyclopropylethyl)propane-1,2-diimine (PubChem CID 123669963) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)propane-1,2-diimine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)propane-1,2-diimine
PubChem CID123669963
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N-(1-cyclopropylethyl)propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C(C)C1CC1
InChIInChI=1S/C8H14N2/c1-6(9)5-10-7(2)8-3-4-8/h5,7-9H,3-4H2,1-2H3/b9-6+,10-5+
InChIKeyLPQNXYNDLOPTBE-TXFIJWAUSA-N
XLogP1.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.90
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

(Z)-N-(1-cyclopropylethyl)-2-methylbut-2-en-1-imine
CID 90169121
N-(2-iminopropylidene)cycloheptanecarboximidamide
CID 155056687
3-cyclopropylbutan-2-imine
CID 163671590
cyclopentanamine;(1Z)-1-(2-iminopropylidene)guanidine
CID 171101243
1-N-methylsulfanylpropane-1,2-diimine
CID 123518003
(2S)-2-cyclopropylpropanimidamide
CID 95732542
N-amino-N-(4-methylpentylideneamino)ethanimidamide
CID 123321539
2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
CID 170900098
N-cyclopentyl-N-methylethanimidamide
CID 63173127
N-(1-cycloheptylethyl)but-3-en-2-imine
CID 87069900
(Z)-5-methoxyhex-3-en-2-imine
CID 123705474
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)propane-1,2-diimine?
The IUPAC name of 1-N-(1-cyclopropylethyl)propane-1,2-diimine (CID 123669963) is 1-N-(1-cyclopropylethyl)propane-1,2-diimine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)propane-1,2-diimine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)propane-1,2-diimine is [H]/N=C(C)/C=N/C(C)C1CC1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)propane-1,2-diimine?
The InChIKey is LPQNXYNDLOPTBE-TXFIJWAUSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(9)5-10-7(2)8-3-4-8/h5,7-9H,3-4H2,1-2H3/b9-6+,10-5+.
What are the key properties of 1-N-(1-cyclopropylethyl)propane-1,2-diimine?
1-N-(1-cyclopropylethyl)propane-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)propane-1,2-diimine is sourced from PubChem (CID 123669963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).