(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine

C13H23N3 — CID 177322366

IUPAC(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine
SMILESCC1CC(C(=C/N)/C=N/C2CC2)CN(C)C1
InChIInChI=1S/C13H23N3/c1-10-5-11(9-16(2)8-10)12(6-14)7-15-13-3-4-13/h6-7,10-11,13H,3-5,8-9,14H2,1-2H3/b12-6+,15-7+
InChIKeyHCQWGMVWJCBSLL-DXLNJPRNSA-N
MW221.35 g/mol
LogP1.65
Rot. Bonds3

About (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine

(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine (PubChem CID 177322366) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine
PubChem CID177322366
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine
SMILESCC1CC(C(=C/N)/C=N/C2CC2)CN(C)C1
InChIInChI=1S/C13H23N3/c1-10-5-11(9-16(2)8-10)12(6-14)7-15-13-3-4-13/h6-7,10-11,13H,3-5,8-9,14H2,1-2H3/b12-6+,15-7+
InChIKeyHCQWGMVWJCBSLL-DXLNJPRNSA-N
XLogP1.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
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-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine (CID 177322366) is (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine is CC1CC(C(=C/N)/C=N/C2CC2)CN(C)C1.
What is the InChIKey of (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine?
The InChIKey is HCQWGMVWJCBSLL-DXLNJPRNSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-5-11(9-16(2)8-10)12(6-14)7-15-13-3-4-13/h6-7,10-11,13H,3-5,8-9,14H2,1-2H3/b12-6+,15-7+.
What are the key properties of (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine?
(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 177322366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).