ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen

C11H27N3 — CID 177062489

IUPACethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen
SMILESC/N=C1\CCNC\C1=C\N.CC.CC.[H][H]
InChIInChI=1S/C7H13N3.2C2H6.H2/c1-9-7-2-3-10-5-6(7)4-8;2*1-2;/h4,10H,2-3,5,8H2,1H3;2*1-2H3;1H/b6-4-,9-7+;;;
InChIKeyHUCVXNAFNUFYNR-XPSXWSNBSA-N
MW201.36 g/mol
LogP2.19
Rot. Bonds

About ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen

ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen (PubChem CID 177062489) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen
PubChem CID177062489
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Nameethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen
SMILESC/N=C1\CCNC\C1=C\N.CC.CC.[H][H]
InChIInChI=1S/C7H13N3.2C2H6.H2/c1-9-7-2-3-10-5-6(7)4-8;2*1-2;/h4,10H,2-3,5,8H2,1H3;2*1-2H3;1H/b6-4-,9-7+;;;
InChIKeyHUCVXNAFNUFYNR-XPSXWSNBSA-N
XLogP2.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

[1-Methyl-4-(2,2,2-trifluoroethylimino)piperidin-3-ylidene]methanamine
CID 148303689
(Z)-(4-methyliminopiperidin-3-ylidene)methanamine
CID 138571622
3-Methylidenepiperidin-4-imine
CID 139423586
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
ethane;3-methyl-6,7,8,9-tetrahydro-4H-pyrido[4,3-b]azepine
CID 141929412
ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine
CID 142070283
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
CID 142382887
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
N-(2-methylprop-1-enyl)-1-piperidin-4-ylprop-2-en-1-imine
CID 143003964
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143498553

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen?
The IUPAC name of ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen (CID 177062489) is ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen.
What is the SMILES notation for ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen?
The canonical SMILES for ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen is C/N=C1\CCNC\C1=C\N.CC.CC.[H][H].
What is the InChIKey of ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen?
The InChIKey is HUCVXNAFNUFYNR-XPSXWSNBSA-N. The full InChI is InChI=1S/C7H13N3.2C2H6.H2/c1-9-7-2-3-10-5-6(7)4-8;2*1-2;/h4,10H,2-3,5,8H2,1H3;2*1-2H3;1H/b6-4-,9-7+;;;.
What are the key properties of ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen?
ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen has a molecular weight of 201.36 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen is sourced from PubChem (CID 177062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).