2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine

C15H31N — CID 59084782

IUPAC2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine
SMILESCC(C)=CCCC(C)CN[C@H](C)CC(C)C
InChIInChI=1S/C15H31N/c1-12(2)8-7-9-14(5)11-16-15(6)10-13(3)4/h8,13-16H,7,9-11H2,1-6H3/t14?,15-/m1/s1
InChIKeyHBUMXDUURWZGHO-YSSOQSIOSA-N
MW225.42 g/mol
LogP4.39
Rot. Bonds8

About 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine

2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine (PubChem CID 59084782) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine
PubChem CID59084782
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine
SMILESCC(C)=CCCC(C)CN[C@H](C)CC(C)C
InChIInChI=1S/C15H31N/c1-12(2)8-7-9-14(5)11-16-15(6)10-13(3)4/h8,13-16H,7,9-11H2,1-6H3/t14?,15-/m1/s1
InChIKeyHBUMXDUURWZGHO-YSSOQSIOSA-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

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
Cyclopropanamine, N-(4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaenyl)-, (all-E)-
CID 6505320
(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine (CID 59084782) is 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine is CC(C)=CCCC(C)CN[C@H](C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine?
The InChIKey is HBUMXDUURWZGHO-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)8-7-9-14(5)11-16-15(6)10-13(3)4/h8,13-16H,7,9-11H2,1-6H3/t14?,15-/m1/s1.
What are the key properties of 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine?
2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-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 2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine is sourced from PubChem (CID 59084782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).