(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine

C12H23N — CID 126514852

IUPAC(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine
SMILESC=C/C=C(\CCCC)C(CC)CN
InChIInChI=1S/C12H23N/c1-4-7-9-12(8-5-2)11(6-3)10-13/h5,8,11H,2,4,6-7,9-10,13H2,1,3H3/b12-8+
InChIKeyDVVDGGPEZPOENK-XYOKQWHBSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds7

About (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine

(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine (PubChem CID 126514852) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine.

Molecular Properties

Compound Name(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine
PubChem CID126514852
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine
SMILESC=C/C=C(\CCCC)C(CC)CN
InChIInChI=1S/C12H23N/c1-4-7-9-12(8-5-2)11(6-3)10-13/h5,8,11H,2,4,6-7,9-10,13H2,1,3H3/b12-8+
InChIKeyDVVDGGPEZPOENK-XYOKQWHBSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
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)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
3-(aminomethyl)hexadecan-4-one
CID 116575209
(3Z)-4-but-3-en-2-ylnona-1,3-dien-5-one
CID 102526207
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
4-ethylidene-3-methyloctane
CID 90798217
(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane
CID 123581563
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3E)-5-ethylocta-1,3,7-trien-4-amine
CID 134331827
2-prop-2-enylidenehexanenitrile
CID 88965787
4-methylnona-1,3-diene
CID 71327710
(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol
CID 167250897

Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine?
The IUPAC name of (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine (CID 126514852) is (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine.
What is the SMILES notation for (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine?
The canonical SMILES for (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine is C=C/C=C(\CCCC)C(CC)CN.
What is the InChIKey of (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine?
The InChIKey is DVVDGGPEZPOENK-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-9-12(8-5-2)11(6-3)10-13/h5,8,11H,2,4,6-7,9-10,13H2,1,3H3/b12-8+.
What are the key properties of (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine?
(3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethyl-3-prop-2-enylideneheptan-1-amine is sourced from PubChem (CID 126514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).