N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine

C13H27N — CID 90868674

IUPACN,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine
SMILESC=C(CC(C)C(C)C)N(C)CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)9-14(7)13(6)8-12(5)11(3)4/h10-12H,6,8-9H2,1-5,7H3
InChIKeyYRQZFNFDVBJTKH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.77
Rot. Bonds6

About N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine

N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine (PubChem CID 90868674) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine
PubChem CID90868674
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine
SMILESC=C(CC(C)C(C)C)N(C)CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)9-14(7)13(6)8-12(5)11(3)4/h10-12H,6,8-9H2,1-5,7H3
InChIKeyYRQZFNFDVBJTKH-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine?
The IUPAC name of N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine (CID 90868674) is N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine.
What is the SMILES notation for N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine?
The canonical SMILES for N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine is C=C(CC(C)C(C)C)N(C)CC(C)C.
What is the InChIKey of N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine?
The InChIKey is YRQZFNFDVBJTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)9-14(7)13(6)8-12(5)11(3)4/h10-12H,6,8-9H2,1-5,7H3.
What are the key properties of N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine?
N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-(2-methylpropyl)hex-1-en-2-amine is sourced from PubChem (CID 90868674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).