N-hex-2-en-3-yl-N-methylaniline

C13H19N — CID 76766194

IUPACN-hex-2-en-3-yl-N-methylaniline
SMILESCC=C(CCC)N(C)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-9-12(5-2)14(3)13-10-7-6-8-11-13/h5-8,10-11H,4,9H2,1-3H3
InChIKeyFTERLNWPGRXJFQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.83
Rot. Bonds4

About N-hex-2-en-3-yl-N-methylaniline

N-hex-2-en-3-yl-N-methylaniline (PubChem CID 76766194) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-hex-2-en-3-yl-N-methylaniline.

Molecular Properties

Compound NameN-hex-2-en-3-yl-N-methylaniline
PubChem CID76766194
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-hex-2-en-3-yl-N-methylaniline
SMILESCC=C(CCC)N(C)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-9-12(5-2)14(3)13-10-7-6-8-11-13/h5-8,10-11H,4,9H2,1-3H3
InChIKeyFTERLNWPGRXJFQ-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-hex-2-en-3-yl-N-methylaniline?
The IUPAC name of N-hex-2-en-3-yl-N-methylaniline (CID 76766194) is N-hex-2-en-3-yl-N-methylaniline.
What is the SMILES notation for N-hex-2-en-3-yl-N-methylaniline?
The canonical SMILES for N-hex-2-en-3-yl-N-methylaniline is CC=C(CCC)N(C)c1ccccc1.
What is the InChIKey of N-hex-2-en-3-yl-N-methylaniline?
The InChIKey is FTERLNWPGRXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-9-12(5-2)14(3)13-10-7-6-8-11-13/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of N-hex-2-en-3-yl-N-methylaniline?
N-hex-2-en-3-yl-N-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-2-en-3-yl-N-methylaniline is sourced from PubChem (CID 76766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).