(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine

C11H20N2 — CID 142386809

IUPAC(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine
SMILESC=C(N)CC/C(C)=C(C)\C(C)=N\C
InChIInChI=1S/C11H20N2/c1-8(6-7-9(2)12)10(3)11(4)13-5/h2,6-7,12H2,1,3-5H3/b10-8-,13-11+
InChIKeyHLAZLTABXIBFDV-NGIPKDTLSA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds4

About (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine

(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine (PubChem CID 142386809) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine.

Molecular Properties

Compound Name(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine
PubChem CID142386809
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine
SMILESC=C(N)CC/C(C)=C(C)\C(C)=N\C
InChIInChI=1S/C11H20N2/c1-8(6-7-9(2)12)10(3)11(4)13-5/h2,6-7,12H2,1,3-5H3/b10-8-,13-11+
InChIKeyHLAZLTABXIBFDV-NGIPKDTLSA-N
XLogP2.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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ethane;(E)-1-ethoxy-2-methyl-3-methyliminobut-1-en-1-amine;propane
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methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol
CID 171065813
3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine
CID 174300983
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
(E)-3-methyl-4-methylidenehex-2-en-2-amine
CID 177319888
1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
N'-methylethanimidamide;vanadium
CID 161014708
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
ethane;hept-1-en-2-amine
CID 143133065

Frequently Asked Questions

What is the IUPAC name of (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine?
The IUPAC name of (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine (CID 142386809) is (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine.
What is the SMILES notation for (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine?
The canonical SMILES for (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine is C=C(N)CC/C(C)=C(C)\C(C)=N\C.
What is the InChIKey of (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine?
The InChIKey is HLAZLTABXIBFDV-NGIPKDTLSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(6-7-9(2)12)10(3)11(4)13-5/h2,6-7,12H2,1,3-5H3/b10-8-,13-11+.
What are the key properties of (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine?
(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine is sourced from PubChem (CID 142386809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).