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'}

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Related Compounds

(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine
CID 146182677
2,3,5-trimethylhexa-1,3-diene
CID 572950
N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
CID 126690242
1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(E)-2-methyl-6-methylideneoct-2-enoxy]propyl]propane-1,3-diamine
CID 146551006
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
1-[3-(dimethylamino)propylamino]-2-methylprop-2-en-1-ol
CID 126624474
N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
CID 152658412

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).