ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine

C14H29N — CID 163291135

IUPACethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine
SMILESC=C(C)/C(=C/C(C)C)CCN(C)C.CC
InChIInChI=1S/C12H23N.C2H6/c1-10(2)9-12(11(3)4)7-8-13(5)6;1-2/h9-10H,3,7-8H2,1-2,4-6H3;1-2H3/b12-9+;
InChIKeySSNZKLCQPZVKSL-NBYYMMLRSA-N
MW211.39 g/mol
LogP4.12
Rot. Bonds5

About ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine

ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine (PubChem CID 163291135) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine
PubChem CID163291135
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine
SMILESC=C(C)/C(=C/C(C)C)CCN(C)C.CC
InChIInChI=1S/C12H23N.C2H6/c1-10(2)9-12(11(3)4)7-8-13(5)6;1-2/h9-10H,3,7-8H2,1-2,4-6H3;1-2H3/b12-9+;
InChIKeySSNZKLCQPZVKSL-NBYYMMLRSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-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;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine?
The IUPAC name of ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine (CID 163291135) is ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine.
What is the SMILES notation for ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine?
The canonical SMILES for ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine is C=C(C)/C(=C/C(C)C)CCN(C)C.CC.
What is the InChIKey of ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine?
The InChIKey is SSNZKLCQPZVKSL-NBYYMMLRSA-N. The full InChI is InChI=1S/C12H23N.C2H6/c1-10(2)9-12(11(3)4)7-8-13(5)6;1-2/h9-10H,3,7-8H2,1-2,4-6H3;1-2H3/b12-9+;.
What are the key properties of ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine?
ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine is sourced from PubChem (CID 163291135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).