(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane

C10H21N — CID 145443397

IUPAC(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
SMILESCC.CC(/C=C\C(C)C)=C/N
InChIInChI=1S/C8H15N.C2H6/c1-7(2)4-5-8(3)6-9;1-2/h4-7H,9H2,1-3H3;1-2H3/b5-4-,8-6-;
InChIKeyYUBGQWBFHSTBAE-PRWWQMKWSA-N
MW155.28 g/mol
LogP3.09
Rot. Bonds2

About (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane

(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane (PubChem CID 145443397) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane.

Molecular Properties

Compound Name(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
PubChem CID145443397
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
SMILESCC.CC(/C=C\C(C)C)=C/N
InChIInChI=1S/C8H15N.C2H6/c1-7(2)4-5-8(3)6-9;1-2/h4-7H,9H2,1-3H3;1-2H3/b5-4-,8-6-;
InChIKeyYUBGQWBFHSTBAE-PRWWQMKWSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
CID 158020066
(Z)-3-amino-2-methylprop-2-enethial
CID 89371085
(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
CID 143340154
ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine
CID 142076932
(NZ)-N-[(E)-5-methylhex-3-en-2-ylidene]hydroxylamine
CID 58526738
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
(NZ)-N-[(Z)-5-methylhex-3-en-2-ylidene]thiohydroxylamine
CID 144511460
3-methylbut-1-en-1-amine;hydrochloride
CID 53405415
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
ethyl (3R,4E,6Z,8E)-3,7,10-trimethylundeca-4,6,8-trienoate
CID 135133622

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane?
The IUPAC name of (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane (CID 145443397) is (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane.
What is the SMILES notation for (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane?
The canonical SMILES for (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane is CC.CC(/C=C\C(C)C)=C/N.
What is the InChIKey of (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane?
The InChIKey is YUBGQWBFHSTBAE-PRWWQMKWSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-7(2)4-5-8(3)6-9;1-2/h4-7H,9H2,1-3H3;1-2H3/b5-4-,8-6-;.
What are the key properties of (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane?
(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane has a molecular weight of 155.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane is sourced from PubChem (CID 145443397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).