1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine

C16H20N2 — CID 122547209

IUPAC1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
SMILESC=C(NCc1cccc2ccccc12)NC(C)C
InChIInChI=1S/C16H20N2/c1-12(2)18-13(3)17-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,17-18H,3,11H2,1-2H3
InChIKeyFQVUXQOIEOWOIL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.40
Rot. Bonds5

About 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine

1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine (PubChem CID 122547209) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
PubChem CID122547209
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
SMILESC=C(NCc1cccc2ccccc12)NC(C)C
InChIInChI=1S/C16H20N2/c1-12(2)18-13(3)17-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,17-18H,3,11H2,1-2H3
InChIKeyFQVUXQOIEOWOIL-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N'-(naphthalen-1-ylmethyl)ethene-1,1-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine (CID 122547209) is 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine is C=C(NCc1cccc2ccccc12)NC(C)C.
What is the InChIKey of 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine?
The InChIKey is FQVUXQOIEOWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)18-13(3)17-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,17-18H,3,11H2,1-2H3.
What are the key properties of 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine?
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine is sourced from PubChem (CID 122547209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).