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

C18H34N4 — CID 171069662

IUPACethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
SMILESCC.CN1CCC(CN2CC3(CC(/N=C/C=C\N)C3)C2)CC1
InChIInChI=1S/C16H28N4.C2H6/c1-19-7-3-14(4-8-19)11-20-12-16(13-20)9-15(10-16)18-6-2-5-17;1-2/h2,5-6,14-15H,3-4,7-13,17H2,1H3;1-2H3/b5-2-,18-6+;
InChIKeyXIQCXWKVSCUCJD-JEYJJBQCSA-N
MW306.50 g/mol
LogP2.36
Rot. Bonds4

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

ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine (PubChem CID 171069662) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
PubChem CID171069662
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Nameethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
SMILESCC.CN1CCC(CN2CC3(CC(/N=C/C=C\N)C3)C2)CC1
InChIInChI=1S/C16H28N4.C2H6/c1-19-7-3-14(4-8-19)11-20-12-16(13-20)9-15(10-16)18-6-2-5-17;1-2/h2,5-6,14-15H,3-4,7-13,17H2,1H3;1-2H3/b5-2-,18-6+;
InChIKeyXIQCXWKVSCUCJD-JEYJJBQCSA-N
XLogP2.36
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(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 ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine (CID 171069662) is ethane;(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 ethane;(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 ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine is CC.CN1CCC(CN2CC3(CC(/N=C/C=C\N)C3)C2)CC1.
What is the InChIKey of ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The InChIKey is XIQCXWKVSCUCJD-JEYJJBQCSA-N. The full InChI is InChI=1S/C16H28N4.C2H6/c1-19-7-3-14(4-8-19)11-20-12-16(13-20)9-15(10-16)18-6-2-5-17;1-2/h2,5-6,14-15H,3-4,7-13,17H2,1H3;1-2H3/b5-2-,18-6+;.
What are the key properties of ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
ethane;(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 306.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(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 171069662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).