2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine

C11H23N — CID 134994094

IUPAC2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
SMILESC=C(C)CC(NC(C)C)C(C)C
InChIInChI=1S/C11H23N/c1-8(2)7-11(9(3)4)12-10(5)6/h9-12H,1,7H2,2-6H3
InChIKeyBSDZQUYIXIRZOK-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds5

About 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine

2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine (PubChem CID 134994094) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
PubChem CID134994094
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
SMILESC=C(C)CC(NC(C)C)C(C)C
InChIInChI=1S/C11H23N/c1-8(2)7-11(9(3)4)12-10(5)6/h9-12H,1,7H2,2-6H3
InChIKeyBSDZQUYIXIRZOK-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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

6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
N,5-dimethylhex-5-en-2-amine
CID 55286663
2-fluoro-5-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
CID 91047197
2-methyl-N-propylhex-5-en-3-amine
CID 15361608
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2-methyl-N-propan-2-ylhex-5-en-3-amine
CID 134926592
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500
1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103312104
1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103312105
N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103312106
4-ethyl-2-methyl-N-propylhex-5-en-3-amine
CID 170847793
3-Methylidene-2-propan-2-ylpiperidine
CID 10997110

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine?
The IUPAC name of 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine (CID 134994094) is 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine?
The canonical SMILES for 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine is C=C(C)CC(NC(C)C)C(C)C.
What is the InChIKey of 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine?
The InChIKey is BSDZQUYIXIRZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)7-11(9(3)4)12-10(5)6/h9-12H,1,7H2,2-6H3.
What are the key properties of 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine?
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine is sourced from PubChem (CID 134994094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).