ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen

C11H26N2 — CID 143962808

IUPACethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen
SMILESCC.[H]/N=C(C(\C)=C(\C)N)/C(C)(C)C.[H][H]
InChIInChI=1S/C9H18N2.C2H6.H2/c1-6(7(2)10)8(11)9(3,4)5;1-2;/h11H,10H2,1-5H3;1-2H3;1H/b7-6-,11-8+;;
InChIKeyIJIYSNMUAVSRNS-SQWZQHIMSA-N
MW186.34 g/mol
LogP3.58
Rot. Bonds1

About ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen

ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen (PubChem CID 143962808) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen
PubChem CID143962808
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen
SMILESCC.[H]/N=C(C(\C)=C(\C)N)/C(C)(C)C.[H][H]
InChIInChI=1S/C9H18N2.C2H6.H2/c1-6(7(2)10)8(11)9(3,4)5;1-2;/h11H,10H2,1-5H3;1-2H3;1H/b7-6-,11-8+;;
InChIKeyIJIYSNMUAVSRNS-SQWZQHIMSA-N
XLogP3.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen?
The IUPAC name of ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen (CID 143962808) is ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen.
What is the SMILES notation for ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen?
The canonical SMILES for ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen is CC.[H]/N=C(C(\C)=C(\C)N)/C(C)(C)C.[H][H].
What is the InChIKey of ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen?
The InChIKey is IJIYSNMUAVSRNS-SQWZQHIMSA-N. The full InChI is InChI=1S/C9H18N2.C2H6.H2/c1-6(7(2)10)8(11)9(3,4)5;1-2;/h11H,10H2,1-5H3;1-2H3;1H/b7-6-,11-8+;;.
What are the key properties of ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen?
ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen has a molecular weight of 186.34 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine;molecular hydrogen is sourced from PubChem (CID 143962808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).