(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine

C16H28N4 — CID 171069663

IUPAC(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
SMILESCN1CCC(CN2CC3(CC(/N=C/C=C\N)C3)C2)CC1
InChIInChI=1S/C16H28N4/c1-19-7-3-14(4-8-19)11-20-12-16(13-20)9-15(10-16)18-6-2-5-17/h2,5-6,14-15H,3-4,7-13,17H2,1H3/b5-2-,18-6+
InChIKeyIFSWNZKFTRASPH-FRBZSUEBSA-N
MW276.43 g/mol
LogP1.34
Rot. Bonds4

About (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine

(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine (PubChem CID 171069663) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
PubChem CID171069663
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
SMILESCN1CCC(CN2CC3(CC(/N=C/C=C\N)C3)C2)CC1
InChIInChI=1S/C16H28N4/c1-19-7-3-14(4-8-19)11-20-12-16(13-20)9-15(10-16)18-6-2-5-17/h2,5-6,14-15H,3-4,7-13,17H2,1H3/b5-2-,18-6+
InChIKeyIFSWNZKFTRASPH-FRBZSUEBSA-N
XLogP1.34
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
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)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The IUPAC name of (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine (CID 171069663) is (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine is CN1CCC(CN2CC3(CC(/N=C/C=C\N)C3)C2)CC1.
What is the InChIKey of (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The InChIKey is IFSWNZKFTRASPH-FRBZSUEBSA-N. The full InChI is InChI=1S/C16H28N4/c1-19-7-3-14(4-8-19)11-20-12-16(13-20)9-15(10-16)18-6-2-5-17/h2,5-6,14-15H,3-4,7-13,17H2,1H3/b5-2-,18-6+.
What are the key properties of (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine is sourced from PubChem (CID 171069663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).