N,2,5-trimethylhexa-1,5-dien-3-amine

C9H17N — CID 130348735

IUPACN,2,5-trimethylhexa-1,5-dien-3-amine
SMILESC=C(C)CC(NC)C(=C)C
InChIInChI=1S/C9H17N/c1-7(2)6-9(10-5)8(3)4/h9-10H,1,3,6H2,2,4-5H3
InChIKeyIWMZOFBUTRWNLM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds4

About N,2,5-trimethylhexa-1,5-dien-3-amine

N,2,5-trimethylhexa-1,5-dien-3-amine (PubChem CID 130348735) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,2,5-trimethylhexa-1,5-dien-3-amine.

Molecular Properties

Compound NameN,2,5-trimethylhexa-1,5-dien-3-amine
PubChem CID130348735
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,2,5-trimethylhexa-1,5-dien-3-amine
SMILESC=C(C)CC(NC)C(=C)C
InChIInChI=1S/C9H17N/c1-7(2)6-9(10-5)8(3)4/h9-10H,1,3,6H2,2,4-5H3
InChIKeyIWMZOFBUTRWNLM-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethylhexa-1,5-dien-3-amine?
The IUPAC name of N,2,5-trimethylhexa-1,5-dien-3-amine (CID 130348735) is N,2,5-trimethylhexa-1,5-dien-3-amine.
What is the SMILES notation for N,2,5-trimethylhexa-1,5-dien-3-amine?
The canonical SMILES for N,2,5-trimethylhexa-1,5-dien-3-amine is C=C(C)CC(NC)C(=C)C.
What is the InChIKey of N,2,5-trimethylhexa-1,5-dien-3-amine?
The InChIKey is IWMZOFBUTRWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)6-9(10-5)8(3)4/h9-10H,1,3,6H2,2,4-5H3.
What are the key properties of N,2,5-trimethylhexa-1,5-dien-3-amine?
N,2,5-trimethylhexa-1,5-dien-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethylhexa-1,5-dien-3-amine is sourced from PubChem (CID 130348735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).