1-hex-1-en-3-yl-N-methylnaphthalen-2-amine

C17H21N — CID 163646641

IUPAC1-hex-1-en-3-yl-N-methylnaphthalen-2-amine
SMILESC=CC(CCC)c1c(NC)ccc2ccccc12
InChIInChI=1S/C17H21N/c1-4-8-13(5-2)17-15-10-7-6-9-14(15)11-12-16(17)18-3/h5-7,9-13,18H,2,4,8H2,1,3H3
InChIKeyIITUKRCCWGQLKM-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.95
Rot. Bonds5

About 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine

1-hex-1-en-3-yl-N-methylnaphthalen-2-amine (PubChem CID 163646641) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-hex-1-en-3-yl-N-methylnaphthalen-2-amine
PubChem CID163646641
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-hex-1-en-3-yl-N-methylnaphthalen-2-amine
SMILESC=CC(CCC)c1c(NC)ccc2ccccc12
InChIInChI=1S/C17H21N/c1-4-8-13(5-2)17-15-10-7-6-9-14(15)11-12-16(17)18-3/h5-7,9-13,18H,2,4,8H2,1,3H3
InChIKeyIITUKRCCWGQLKM-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine?
The IUPAC name of 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine (CID 163646641) is 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine.
What is the SMILES notation for 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine?
The canonical SMILES for 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine is C=CC(CCC)c1c(NC)ccc2ccccc12.
What is the InChIKey of 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine?
The InChIKey is IITUKRCCWGQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-8-13(5-2)17-15-10-7-6-9-14(15)11-12-16(17)18-3/h5-7,9-13,18H,2,4,8H2,1,3H3.
What are the key properties of 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine?
1-hex-1-en-3-yl-N-methylnaphthalen-2-amine has a molecular weight of 239.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-3-yl-N-methylnaphthalen-2-amine is sourced from PubChem (CID 163646641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).