(1Z)-2,5-dimethylhexa-1,5-dien-1-amine

C8H15N — CID 145123589

IUPAC(1Z)-2,5-dimethylhexa-1,5-dien-1-amine
SMILESC=C(C)CC/C(C)=C\N
InChIInChI=1S/C8H15N/c1-7(2)4-5-8(3)6-9/h6H,1,4-5,9H2,2-3H3/b8-6-
InChIKeyJRMDMOJAIHWJNG-VURMDHGXSA-N
MW125.21 g/mol
LogP2.21
Rot. Bonds3

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

(1Z)-2,5-dimethylhexa-1,5-dien-1-amine (PubChem CID 145123589) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1Z)-2,5-dimethylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2,5-dimethylhexa-1,5-dien-1-amine
PubChem CID145123589
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1Z)-2,5-dimethylhexa-1,5-dien-1-amine
SMILESC=C(C)CC/C(C)=C\N
InChIInChI=1S/C8H15N/c1-7(2)4-5-8(3)6-9/h6H,1,4-5,9H2,2-3H3/b8-6-
InChIKeyJRMDMOJAIHWJNG-VURMDHGXSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
(E)-2-methylhex-1-ene-1,6-diamine
CID 122661834
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
CID 145317472
ethyl 5-amino-4-methylpent-4-enoate
CID 174433191
dichloroplatinum;2,5-dimethylhexa-1,5-diene
CID 161462927
ethane;(7E)-2,7,10-trimethyl-5-methylideneundeca-1,7,9-triene
CID 145295307
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
2,6-dimethylocta-1,5-diene
CID 54025904

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,5-dimethylhexa-1,5-dien-1-amine?
The IUPAC name of (1Z)-2,5-dimethylhexa-1,5-dien-1-amine (CID 145123589) is (1Z)-2,5-dimethylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z)-2,5-dimethylhexa-1,5-dien-1-amine?
The canonical SMILES for (1Z)-2,5-dimethylhexa-1,5-dien-1-amine is C=C(C)CC/C(C)=C\N.
What is the InChIKey of (1Z)-2,5-dimethylhexa-1,5-dien-1-amine?
The InChIKey is JRMDMOJAIHWJNG-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)4-5-8(3)6-9/h6H,1,4-5,9H2,2-3H3/b8-6-.
What are the key properties of (1Z)-2,5-dimethylhexa-1,5-dien-1-amine?
(1Z)-2,5-dimethylhexa-1,5-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,5-dimethylhexa-1,5-dien-1-amine is sourced from PubChem (CID 145123589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).