(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine

C12H22N4 — CID 139358109

IUPAC(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(CN2CCC2)C1
InChIInChI=1S/C12H22N4/c13-5-12(6-14)11-4-10(7-15-8-11)9-16-2-1-3-16/h5-6,10-11,13,15H,1-4,7-9,14H2/b12-6+,13-5+
InChIKeyOMQNPVQBSZHHDV-YKNDAMCPSA-N
MW222.34 g/mol
LogP0.41
Rot. Bonds4

About (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139358109) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine
PubChem CID139358109
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(CN2CCC2)C1
InChIInChI=1S/C12H22N4/c13-5-12(6-14)11-4-10(7-15-8-11)9-16-2-1-3-16/h5-6,10-11,13,15H,1-4,7-9,14H2/b12-6+,13-5+
InChIKeyOMQNPVQBSZHHDV-YKNDAMCPSA-N
XLogP0.41
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine (CID 139358109) is (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CNCC(CN2CCC2)C1.
What is the InChIKey of (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is OMQNPVQBSZHHDV-YKNDAMCPSA-N. The full InChI is InChI=1S/C12H22N4/c13-5-12(6-14)11-4-10(7-15-8-11)9-16-2-1-3-16/h5-6,10-11,13,15H,1-4,7-9,14H2/b12-6+,13-5+.
What are the key properties of (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 222.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139358109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).