(Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine

C7H12N2 — CID 166837283

IUPAC(Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)CC1CC1
InChIInChI=1S/C7H12N2/c8-4-7(5-9)3-6-1-2-6/h4-6,8H,1-3,9H2/b7-5-,8-4+
InChIKeyJJUNDLNFFSORJH-DZAKWUEVSA-N
MW124.19 g/mol
LogP1.28
Rot. Bonds3

About (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine

(Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine (PubChem CID 166837283) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine
PubChem CID166837283
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)CC1CC1
InChIInChI=1S/C7H12N2/c8-4-7(5-9)3-6-1-2-6/h4-6,8H,1-3,9H2/b7-5-,8-4+
InChIKeyJJUNDLNFFSORJH-DZAKWUEVSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine (CID 166837283) is (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)CC1CC1.
What is the InChIKey of (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine?
The InChIKey is JJUNDLNFFSORJH-DZAKWUEVSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-7(5-9)3-6-1-2-6/h4-6,8H,1-3,9H2/b7-5-,8-4+.
What are the key properties of (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine?
(Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(cyclopropylmethyl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 166837283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).