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

C19H38N4 — CID 171069755

IUPACethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
SMILESCC.CC.N/C=C\C=N\C1CC2(C1)CN(CC1CCNCC1)C2
InChIInChI=1S/C15H26N4.2C2H6/c16-4-1-5-18-14-8-15(9-14)11-19(12-15)10-13-2-6-17-7-3-13;2*1-2/h1,4-5,13-14,17H,2-3,6-12,16H2;2*1-2H3/b4-1-,18-5+;;
InChIKeyCESGTNXGQDWVFM-BFGJKWTESA-N
MW322.54 g/mol
LogP3.05
Rot. Bonds4

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

ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine (PubChem CID 171069755) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
PubChem CID171069755
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Nameethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
SMILESCC.CC.N/C=C\C=N\C1CC2(C1)CN(CC1CCNCC1)C2
InChIInChI=1S/C15H26N4.2C2H6/c16-4-1-5-18-14-8-15(9-14)11-19(12-15)10-13-2-6-17-7-3-13;2*1-2/h1,4-5,13-14,17H,2-3,6-12,16H2;2*1-2H3/b4-1-,18-5+;;
InChIKeyCESGTNXGQDWVFM-BFGJKWTESA-N
XLogP3.05
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane
CID 171069474
ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
CID 171069662
7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171069475
(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
CID 171069663
(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
CID 171069756

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine (CID 171069755) is ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine is CC.CC.N/C=C\C=N\C1CC2(C1)CN(CC1CCNCC1)C2.
What is the InChIKey of ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
The InChIKey is CESGTNXGQDWVFM-BFGJKWTESA-N. The full InChI is InChI=1S/C15H26N4.2C2H6/c16-4-1-5-18-14-8-15(9-14)11-19(12-15)10-13-2-6-17-7-3-13;2*1-2/h1,4-5,13-14,17H,2-3,6-12,16H2;2*1-2H3/b4-1-,18-5+;;.
What are the key properties of ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine?
ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine has a molecular weight of 322.54 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine is sourced from PubChem (CID 171069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).