(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine

C12H23N — CID 143115320

IUPAC(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine
SMILESC/C=C(\C=C/C(C)CC)CCNC
InChIInChI=1S/C12H23N/c1-5-11(3)7-8-12(6-2)9-10-13-4/h6-8,11,13H,5,9-10H2,1-4H3/b8-7-,12-6+
InChIKeyBCYUSZDJQWTSLM-HRZQEMGZSA-N
MW181.32 g/mol
LogP3.14
Rot. Bonds6

About (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine

(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine (PubChem CID 143115320) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine
PubChem CID143115320
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine
SMILESC/C=C(\C=C/C(C)CC)CCNC
InChIInChI=1S/C12H23N/c1-5-11(3)7-8-12(6-2)9-10-13-4/h6-8,11,13H,5,9-10H2,1-4H3/b8-7-,12-6+
InChIKeyBCYUSZDJQWTSLM-HRZQEMGZSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.14
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

3,6-dimethyloct-4-ene
CID 73165576
N,7-dimethylnon-5-en-1-amine
CID 166916633
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
3,6-dimethylocta-2,4-dienal
CID 54187516
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
CID 143278662
CID 143278662
2,2,6-trimethyloct-4-ene
CID 91281227
(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
CID 143683617
(E,3R)-2,3,6-trimethyloct-4-en-2-ol
CID 90299782
N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine
CID 146290137

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine?
The IUPAC name of (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine (CID 143115320) is (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine.
What is the SMILES notation for (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine?
The canonical SMILES for (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine is C/C=C(\C=C/C(C)CC)CCNC.
What is the InChIKey of (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine?
The InChIKey is BCYUSZDJQWTSLM-HRZQEMGZSA-N. The full InChI is InChI=1S/C12H23N/c1-5-11(3)7-8-12(6-2)9-10-13-4/h6-8,11,13H,5,9-10H2,1-4H3/b8-7-,12-6+.
What are the key properties of (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine?
(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine is sourced from PubChem (CID 143115320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).