ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine

C13H25N — CID 171073812

IUPACethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
SMILESC=C/C(=C\C(=C\C)NC)C(C)C.CC
InChIInChI=1S/C11H19N.C2H6/c1-6-10(9(3)4)8-11(7-2)12-5;1-2/h6-9,12H,1H2,2-5H3;1-2H3/b10-8+,11-7-;
InChIKeyMDMULCPRQXFJNN-GOZDGITISA-N
MW195.35 g/mol
LogP3.90
Rot. Bonds4

About ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine

ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine (PubChem CID 171073812) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Nameethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
PubChem CID171073812
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
SMILESC=C/C(=C\C(=C\C)NC)C(C)C.CC
InChIInChI=1S/C11H19N.C2H6/c1-6-10(9(3)4)8-11(7-2)12-5;1-2/h6-9,12H,1H2,2-5H3;1-2H3/b10-8+,11-7-;
InChIKeyMDMULCPRQXFJNN-GOZDGITISA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.90
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

ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
CID 155109514
(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine
CID 166807119
(5Z)-6-propan-2-ylocta-5,7-dien-4-one
CID 177048553
(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine
CID 143114260
(5Z)-4-methylidene-6-propan-2-ylocta-5,7-dien-3-one
CID 142046409
(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
CID 143169630
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
(2E,4E)-6-fluoro-N,5-dimethylhexa-2,4-dien-3-amine
CID 134570347

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine?
The IUPAC name of ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine (CID 171073812) is ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine?
The canonical SMILES for ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine is C=C/C(=C\C(=C\C)NC)C(C)C.CC.
What is the InChIKey of ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine?
The InChIKey is MDMULCPRQXFJNN-GOZDGITISA-N. The full InChI is InChI=1S/C11H19N.C2H6/c1-6-10(9(3)4)8-11(7-2)12-5;1-2/h6-9,12H,1H2,2-5H3;1-2H3/b10-8+,11-7-;.
What are the key properties of ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine?
ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-N-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 171073812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).