N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine

C19H27N — CID 14519855

IUPACN-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine
SMILESCCCCN(CC)CCCc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-3-5-15-20(4-2)16-9-13-18-12-8-11-17-10-6-7-14-19(17)18/h6-8,10-12,14H,3-5,9,13,15-16H2,1-2H3
InChIKeyUUIKLESNBVJWPU-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.89
Rot. Bonds8

About N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine

N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine (PubChem CID 14519855) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine
PubChem CID14519855
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine
SMILESCCCCN(CC)CCCc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-3-5-15-20(4-2)16-9-13-18-12-8-11-17-10-6-7-14-19(17)18/h6-8,10-12,14H,3-5,9,13,15-16H2,1-2H3
InChIKeyUUIKLESNBVJWPU-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine?
The IUPAC name of N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine (CID 14519855) is N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine?
The canonical SMILES for N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine is CCCCN(CC)CCCc1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine?
The InChIKey is UUIKLESNBVJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-5-15-20(4-2)16-9-13-18-12-8-11-17-10-6-7-14-19(17)18/h6-8,10-12,14H,3-5,9,13,15-16H2,1-2H3.
What are the key properties of N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine?
N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-naphthalen-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 14519855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).