(E)-N,4-dimethylhex-3-en-1-amine;ethane

C10H23N — CID 144566513

IUPAC(E)-N,4-dimethylhex-3-en-1-amine;ethane
SMILESCC.CC/C(C)=C/CCNC
InChIInChI=1S/C8H17N.C2H6/c1-4-8(2)6-5-7-9-3;1-2/h6,9H,4-5,7H2,1-3H3;1-2H3/b8-6+;
InChIKeyNXILKTBYYIFISB-WVLIHFOGSA-N
MW157.30 g/mol
LogP2.98
Rot. Bonds4

About (E)-N,4-dimethylhex-3-en-1-amine;ethane

(E)-N,4-dimethylhex-3-en-1-amine;ethane (PubChem CID 144566513) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (E)-N,4-dimethylhex-3-en-1-amine;ethane.

Molecular Properties

Compound Name(E)-N,4-dimethylhex-3-en-1-amine;ethane
PubChem CID144566513
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(E)-N,4-dimethylhex-3-en-1-amine;ethane
SMILESCC.CC/C(C)=C/CCNC
InChIInChI=1S/C8H17N.C2H6/c1-4-8(2)6-5-7-9-3;1-2/h6,9H,4-5,7H2,1-3H3;1-2H3/b8-6+;
InChIKeyNXILKTBYYIFISB-WVLIHFOGSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
N,4-dimethylhept-3-en-6-yn-1-amine
CID 79598050
N,4,6-trimethylnon-3-en-1-amine
CID 79599077
(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608
(E)-4-methylhex-3-en-1-amine
CID 63969892
(E)-N,4,5,5-tetramethylhex-3-en-1-amine
CID 83694651
5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
CID 79599341
(E)-3-methylnon-3-ene
CID 5364647
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
CID 145283944
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451

Frequently Asked Questions

What is the IUPAC name of (E)-N,4-dimethylhex-3-en-1-amine;ethane?
The IUPAC name of (E)-N,4-dimethylhex-3-en-1-amine;ethane (CID 144566513) is (E)-N,4-dimethylhex-3-en-1-amine;ethane.
What is the SMILES notation for (E)-N,4-dimethylhex-3-en-1-amine;ethane?
The canonical SMILES for (E)-N,4-dimethylhex-3-en-1-amine;ethane is CC.CC/C(C)=C/CCNC.
What is the InChIKey of (E)-N,4-dimethylhex-3-en-1-amine;ethane?
The InChIKey is NXILKTBYYIFISB-WVLIHFOGSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-4-8(2)6-5-7-9-3;1-2/h6,9H,4-5,7H2,1-3H3;1-2H3/b8-6+;.
What are the key properties of (E)-N,4-dimethylhex-3-en-1-amine;ethane?
(E)-N,4-dimethylhex-3-en-1-amine;ethane has a molecular weight of 157.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-dimethylhex-3-en-1-amine;ethane is sourced from PubChem (CID 144566513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).