(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene

C34H80N2 — CID 172567141

IUPAC(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene
SMILESC=CC.CC.CC.CC.CC.CC.CC.CCCCCCC.[H]/N=C(CC)/C(=N\C)C(/C)=C/CCCC
InChIInChI=1S/C12H22N2.C7H16.C3H6.6C2H6/c1-5-7-8-9-10(3)12(14-4)11(13)6-2;1-3-5-7-6-4-2;1-3-2;6*1-2/h9,13H,5-8H2,1-4H3;3-7H2,1-2H3;3H,1H2,2H3;6*1-2H3/b10-9+,13-11+,14-12-;;;;;;;;
InChIKeySUXHVVZUKRYZMS-ZQXXGLBDSA-N
MW517.03 g/mol
LogP13.95
Rot. Bonds10

About (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene

(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene (PubChem CID 172567141) has the molecular formula C34H80N2 and a molecular weight of 517.03 g/mol. Its IUPAC name is (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene.

Molecular Properties

Compound Name(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene
PubChem CID172567141
Molecular FormulaC34H80N2
Molecular Weight517.03 g/mol
Exact Mass516.63
IUPAC Name(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene
SMILESC=CC.CC.CC.CC.CC.CC.CC.CCCCCCC.[H]/N=C(CC)/C(=N\C)C(/C)=C/CCCC
InChIInChI=1S/C12H22N2.C7H16.C3H6.6C2H6/c1-5-7-8-9-10(3)12(14-4)11(13)6-2;1-3-5-7-6-4-2;1-3-2;6*1-2/h9,13H,5-8H2,1-4H3;3-7H2,1-2H3;3H,1H2,2H3;6*1-2H3/b10-9+,13-11+,14-12-;;;;;;;;
InChIKeySUXHVVZUKRYZMS-ZQXXGLBDSA-N
XLogP13.95
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.03
LogP ≤ 513.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane
CID 172567514
ethane;prop-1-ene;undecane
CID 171541850
(Z)-2-bromohept-2-en-1-imine
CID 166655516
2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
N-pentylideneethanimidamide
CID 153377709
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
4,5-dimethyldeca-3,5-diene
CID 76540100
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene?
The IUPAC name of (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene (CID 172567141) is (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene.
What is the SMILES notation for (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene?
The canonical SMILES for (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene is C=CC.CC.CC.CC.CC.CC.CC.CCCCCCC.[H]/N=C(CC)/C(=N\C)C(/C)=C/CCCC.
What is the InChIKey of (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene?
The InChIKey is SUXHVVZUKRYZMS-ZQXXGLBDSA-N. The full InChI is InChI=1S/C12H22N2.C7H16.C3H6.6C2H6/c1-5-7-8-9-10(3)12(14-4)11(13)6-2;1-3-5-7-6-4-2;1-3-2;6*1-2/h9,13H,5-8H2,1-4H3;3-7H2,1-2H3;3H,1H2,2H3;6*1-2H3/b10-9+,13-11+,14-12-;;;;;;;;.
What are the key properties of (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene?
(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene has a molecular weight of 517.03 g/mol, XLogP of 13.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene is sourced from PubChem (CID 172567141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).