(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine

C11H21N3 — CID 174265557

IUPAC(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H21N3/c1-9(2)14-7-4-10(5-8-14)11(13)3-6-12/h3,6,9-10,12H,4-5,7-8,13H2,1-2H3/b11-3-,12-6+
InChIKeyMGITZUQMOKLJCV-LGSVERLPSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds3

About (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine

(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine (PubChem CID 174265557) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine
PubChem CID174265557
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H21N3/c1-9(2)14-7-4-10(5-8-14)11(13)3-6-12/h3,6,9-10,12H,4-5,7-8,13H2,1-2H3/b11-3-,12-6+
InChIKeyMGITZUQMOKLJCV-LGSVERLPSA-N
XLogP1.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine (CID 174265557) is (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine is [H]/N=C/C=C(\N)C1CCN(C(C)C)CC1.
What is the InChIKey of (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine?
The InChIKey is MGITZUQMOKLJCV-LGSVERLPSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)14-7-4-10(5-8-14)11(13)3-6-12/h3,6,9-10,12H,4-5,7-8,13H2,1-2H3/b11-3-,12-6+.
What are the key properties of (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine?
(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine is sourced from PubChem (CID 174265557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).