ethane;(4Z)-2-methylhepta-2,4-dien-3-amine

C10H21N — CID 145261279

IUPACethane;(4Z)-2-methylhepta-2,4-dien-3-amine
SMILESCC.CC/C=C\C(N)=C(C)C
InChIInChI=1S/C8H15N.C2H6/c1-4-5-6-8(9)7(2)3;1-2/h5-6H,4,9H2,1-3H3;1-2H3/b6-5-;
InChIKeyVNCPDDDGUICNIG-YSMBQZINSA-N
MW155.28 g/mol
LogP3.23
Rot. Bonds2

About ethane;(4Z)-2-methylhepta-2,4-dien-3-amine

ethane;(4Z)-2-methylhepta-2,4-dien-3-amine (PubChem CID 145261279) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;(4Z)-2-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Nameethane;(4Z)-2-methylhepta-2,4-dien-3-amine
PubChem CID145261279
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;(4Z)-2-methylhepta-2,4-dien-3-amine
SMILESCC.CC/C=C\C(N)=C(C)C
InChIInChI=1S/C8H15N.C2H6/c1-4-5-6-8(9)7(2)3;1-2/h5-6H,4,9H2,1-3H3;1-2H3/b6-5-;
InChIKeyVNCPDDDGUICNIG-YSMBQZINSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206
pent-2-enimidamide
CID 74821450
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
CID 142928333
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(3E,5Z,7Z)-6-N,6-N,3-trimethyldeca-3,5,7-triene-5,6-diamine
CID 167113133
nona-3,5-dien-5-amine
CID 173041910
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-2-methylhepta-2,4-dien-3-amine?
The IUPAC name of ethane;(4Z)-2-methylhepta-2,4-dien-3-amine (CID 145261279) is ethane;(4Z)-2-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for ethane;(4Z)-2-methylhepta-2,4-dien-3-amine?
The canonical SMILES for ethane;(4Z)-2-methylhepta-2,4-dien-3-amine is CC.CC/C=C\C(N)=C(C)C.
What is the InChIKey of ethane;(4Z)-2-methylhepta-2,4-dien-3-amine?
The InChIKey is VNCPDDDGUICNIG-YSMBQZINSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-4-5-6-8(9)7(2)3;1-2/h5-6H,4,9H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(4Z)-2-methylhepta-2,4-dien-3-amine?
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine has a molecular weight of 155.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-2-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 145261279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).