2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine

C18H26N2 — CID 43312452

IUPAC2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(CC)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-14(3)18(13-19)20(5-2)17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14,18H,4-5,13,19H2,1-3H3
InChIKeyLLXUNYUJGZPKMV-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.04
Rot. Bonds6

About 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine

2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine (PubChem CID 43312452) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine
PubChem CID43312452
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(CC)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-14(3)18(13-19)20(5-2)17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14,18H,4-5,13,19H2,1-3H3
InChIKeyLLXUNYUJGZPKMV-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine (CID 43312452) is 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine is CCC(C)C(CN)N(CC)c1cccc2ccccc12.
What is the InChIKey of 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine?
The InChIKey is LLXUNYUJGZPKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-14(3)18(13-19)20(5-2)17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14,18H,4-5,13,19H2,1-3H3.
What are the key properties of 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine?
2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine is sourced from PubChem (CID 43312452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).