3-(7-propylnaphthalen-1-yl)propan-1-amine

C16H21N — CID 19086002

IUPAC3-(7-propylnaphthalen-1-yl)propan-1-amine
SMILESCCCc1ccc2cccc(CCCN)c2c1
InChIInChI=1S/C16H21N/c1-2-5-13-9-10-15-7-3-6-14(8-4-11-17)16(15)12-13/h3,6-7,9-10,12H,2,4-5,8,11,17H2,1H3
InChIKeyMHJYNTMIVZLCIT-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.68
Rot. Bonds5

About 3-(7-propylnaphthalen-1-yl)propan-1-amine

3-(7-propylnaphthalen-1-yl)propan-1-amine (PubChem CID 19086002) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(7-propylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-propylnaphthalen-1-yl)propan-1-amine
PubChem CID19086002
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-(7-propylnaphthalen-1-yl)propan-1-amine
SMILESCCCc1ccc2cccc(CCCN)c2c1
InChIInChI=1S/C16H21N/c1-2-5-13-9-10-15-7-3-6-14(8-4-11-17)16(15)12-13/h3,6-7,9-10,12H,2,4-5,8,11,17H2,1H3
InChIKeyMHJYNTMIVZLCIT-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-propylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of 3-(7-propylnaphthalen-1-yl)propan-1-amine (CID 19086002) is 3-(7-propylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for 3-(7-propylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for 3-(7-propylnaphthalen-1-yl)propan-1-amine is CCCc1ccc2cccc(CCCN)c2c1.
What is the InChIKey of 3-(7-propylnaphthalen-1-yl)propan-1-amine?
The InChIKey is MHJYNTMIVZLCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-5-13-9-10-15-7-3-6-14(8-4-11-17)16(15)12-13/h3,6-7,9-10,12H,2,4-5,8,11,17H2,1H3.
What are the key properties of 3-(7-propylnaphthalen-1-yl)propan-1-amine?
3-(7-propylnaphthalen-1-yl)propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 19086002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).