3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine

C15H31N — CID 90802479

IUPAC3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine
SMILESC=CC(CC(C)C)NC(C)(CC)C(C)CC
InChIInChI=1S/C15H31N/c1-8-13(6)15(7,10-3)16-14(9-2)11-12(4)5/h9,12-14,16H,2,8,10-11H2,1,3-7H3
InChIKeyLOTAABVVNXIOPV-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.39
Rot. Bonds8

About 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine

3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine (PubChem CID 90802479) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine
PubChem CID90802479
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine
SMILESC=CC(CC(C)C)NC(C)(CC)C(C)CC
InChIInChI=1S/C15H31N/c1-8-13(6)15(7,10-3)16-14(9-2)11-12(4)5/h9,12-14,16H,2,8,10-11H2,1,3-7H3
InChIKeyLOTAABVVNXIOPV-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.39
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
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
2-methyl-N-prop-2-enylhex-5-en-1-amine
CID 11228913
2-ethyl-N-(2-methylpropyl)pent-4-en-1-amine
CID 15063994
2-methyl-N-propylhex-5-en-3-amine
CID 15361608
2,3-Bis(1-methylallyl) pyrrolidine
CID 21157860
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2-methyl-N-propan-2-ylhex-5-en-3-amine
CID 134926592
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094
4-ethyl-2-methyl-N-propylhex-5-en-3-amine
CID 170847793
2,3-Bis(1-methylallyl)pyrrolidine
CID 5205941

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine?
The IUPAC name of 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine (CID 90802479) is 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine.
What is the SMILES notation for 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine?
The canonical SMILES for 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine is C=CC(CC(C)C)NC(C)(CC)C(C)CC.
What is the InChIKey of 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine?
The InChIKey is LOTAABVVNXIOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-8-13(6)15(7,10-3)16-14(9-2)11-12(4)5/h9,12-14,16H,2,8,10-11H2,1,3-7H3.
What are the key properties of 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine?
3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-methylhex-1-en-3-yl)hexan-3-amine is sourced from PubChem (CID 90802479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).