(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine

C12H22N2 — CID 89095963

IUPAC(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
SMILESC/C=C\C(CNCC1CC1C)=N/CC
InChIInChI=1S/C12H22N2/c1-4-6-12(14-5-2)9-13-8-11-7-10(11)3/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4-,14-12+
InChIKeyGNOBRSCAWHKKDG-FXKWXDEYSA-N
MW194.32 g/mol
LogP2.27
Rot. Bonds6

About (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine

(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine (PubChem CID 89095963) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
PubChem CID89095963
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
SMILESC/C=C\C(CNCC1CC1C)=N/CC
InChIInChI=1S/C12H22N2/c1-4-6-12(14-5-2)9-13-8-11-7-10(11)3/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4-,14-12+
InChIKeyGNOBRSCAWHKKDG-FXKWXDEYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
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-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
The IUPAC name of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine (CID 89095963) is (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine is C/C=C\C(CNCC1CC1C)=N/CC.
What is the InChIKey of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
The InChIKey is GNOBRSCAWHKKDG-FXKWXDEYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-12(14-5-2)9-13-8-11-7-10(11)3/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4-,14-12+.
What are the key properties of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 89095963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).