(Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine

C8H15N3 — CID 139358897

IUPAC(Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CCNC1C
InChIInChI=1S/C8H15N3/c1-6-8(2-3-11-6)7(4-9)5-10/h4-6,8-9,11H,2-3,10H2,1H3/b7-5+,9-4+
InChIKeyLIRATLBZXLFNBG-PGWPIGLESA-N
MW153.23 g/mol
LogP0.48
Rot. Bonds2

About (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine

(Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine (PubChem CID 139358897) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine
PubChem CID139358897
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CCNC1C
InChIInChI=1S/C8H15N3/c1-6-8(2-3-11-6)7(4-9)5-10/h4-6,8-9,11H,2-3,10H2,1H3/b7-5+,9-4+
InChIKeyLIRATLBZXLFNBG-PGWPIGLESA-N
XLogP0.48
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine (CID 139358897) is (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1CCNC1C.
What is the InChIKey of (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine?
The InChIKey is LIRATLBZXLFNBG-PGWPIGLESA-N. The full InChI is InChI=1S/C8H15N3/c1-6-8(2-3-11-6)7(4-9)5-10/h4-6,8-9,11H,2-3,10H2,1H3/b7-5+,9-4+.
What are the key properties of (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(2-methylpyrrolidin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 139358897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).