4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine

C20H31N — CID 10589235

IUPAC4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCCCC1=CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-3-15-21(16-4-2)17-8-7-11-19-13-9-12-18-10-5-6-14-20(18)19/h5-6,10,13-14H,3-4,7-9,11-12,15-17H2,1-2H3
InChIKeyCICRTVAOKJIVPR-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.31
Rot. Bonds9

About 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine

4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine (PubChem CID 10589235) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine
PubChem CID10589235
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCCCC1=CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-3-15-21(16-4-2)17-8-7-11-19-13-9-12-18-10-5-6-14-20(18)19/h5-6,10,13-14H,3-4,7-9,11-12,15-17H2,1-2H3
InChIKeyCICRTVAOKJIVPR-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine?
The IUPAC name of 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine (CID 10589235) is 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine?
The canonical SMILES for 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine is CCCN(CCC)CCCCC1=CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine?
The InChIKey is CICRTVAOKJIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-15-21(16-4-2)17-8-7-11-19-13-9-12-18-10-5-6-14-20(18)19/h5-6,10,13-14H,3-4,7-9,11-12,15-17H2,1-2H3.
What are the key properties of 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine?
4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydronaphthalen-1-yl)-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 10589235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).