2,3,5-trimethyl-N-propylhex-5-en-1-amine

C12H25N — CID 81016031

IUPAC2,3,5-trimethyl-N-propylhex-5-en-1-amine
SMILESC=C(C)CC(C)C(C)CNCCC
InChIInChI=1S/C12H25N/c1-6-7-13-9-12(5)11(4)8-10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeySWGJCHGYKRFMBN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds7

About 2,3,5-trimethyl-N-propylhex-5-en-1-amine

2,3,5-trimethyl-N-propylhex-5-en-1-amine (PubChem CID 81016031) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-propylhex-5-en-1-amine
PubChem CID81016031
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,3,5-trimethyl-N-propylhex-5-en-1-amine
SMILESC=C(C)CC(C)C(C)CNCCC
InChIInChI=1S/C12H25N/c1-6-7-13-9-12(5)11(4)8-10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeySWGJCHGYKRFMBN-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
The IUPAC name of 2,3,5-trimethyl-N-propylhex-5-en-1-amine (CID 81016031) is 2,3,5-trimethyl-N-propylhex-5-en-1-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
The canonical SMILES for 2,3,5-trimethyl-N-propylhex-5-en-1-amine is C=C(C)CC(C)C(C)CNCCC.
What is the InChIKey of 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
The InChIKey is SWGJCHGYKRFMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-13-9-12(5)11(4)8-10(2)3/h11-13H,2,6-9H2,1,3-5H3.
What are the key properties of 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
2,3,5-trimethyl-N-propylhex-5-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-propylhex-5-en-1-amine is sourced from PubChem (CID 81016031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).