(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine

C9H17N — CID 89377891

IUPAC(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
SMILESC=C/C(C)=C\C[C@H](C)CN
InChIInChI=1S/C9H17N/c1-4-8(2)5-6-9(3)7-10/h4-5,9H,1,6-7,10H2,2-3H3/b8-5-/t9-/m0/s1
InChIKeyOJJVJABVEWAHAE-RDOCRHDPSA-N
MW139.24 g/mol
LogP2.10
Rot. Bonds4

About (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine

(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine (PubChem CID 89377891) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
PubChem CID89377891
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
SMILESC=C/C(C)=C\C[C@H](C)CN
InChIInChI=1S/C9H17N/c1-4-8(2)5-6-9(3)7-10/h4-5,9H,1,6-7,10H2,2-3H3/b8-5-/t9-/m0/s1
InChIKeyOJJVJABVEWAHAE-RDOCRHDPSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine?
The IUPAC name of (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine (CID 89377891) is (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine.
What is the SMILES notation for (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine?
The canonical SMILES for (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine is C=C/C(C)=C\C[C@H](C)CN.
What is the InChIKey of (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine?
The InChIKey is OJJVJABVEWAHAE-RDOCRHDPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8(2)5-6-9(3)7-10/h4-5,9H,1,6-7,10H2,2-3H3/b8-5-/t9-/m0/s1.
What are the key properties of (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine?
(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine is sourced from PubChem (CID 89377891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).