1-naphthalen-1-yl-N-propylbut-3-en-2-amine

C17H21N — CID 105161170

IUPAC1-naphthalen-1-yl-N-propylbut-3-en-2-amine
SMILESC=CC(Cc1cccc2ccccc12)NCCC
InChIInChI=1S/C17H21N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h4-11,16,18H,2-3,12-13H2,1H3
InChIKeyDGKNUGMRKOLUJH-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.94
Rot. Bonds6

About 1-naphthalen-1-yl-N-propylbut-3-en-2-amine

1-naphthalen-1-yl-N-propylbut-3-en-2-amine (PubChem CID 105161170) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-propylbut-3-en-2-amine
PubChem CID105161170
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-naphthalen-1-yl-N-propylbut-3-en-2-amine
SMILESC=CC(Cc1cccc2ccccc12)NCCC
InChIInChI=1S/C17H21N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h4-11,16,18H,2-3,12-13H2,1H3
InChIKeyDGKNUGMRKOLUJH-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
CID 54891258
1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine
CID 155697932
N-[1-(furan-3-yl)-2-naphthalen-1-ylethyl]propan-1-amine
CID 61078930
1-(2-azidobut-3-enyl)naphthalene
CID 150731368
2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
CID 81016240
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
1-(2-chloropropyl)naphthalene
CID 12809422

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?
The IUPAC name of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine (CID 105161170) is 1-naphthalen-1-yl-N-propylbut-3-en-2-amine.
What is the SMILES notation for 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?
The canonical SMILES for 1-naphthalen-1-yl-N-propylbut-3-en-2-amine is C=CC(Cc1cccc2ccccc12)NCCC.
What is the InChIKey of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?
The InChIKey is DGKNUGMRKOLUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h4-11,16,18H,2-3,12-13H2,1H3.
What are the key properties of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?
1-naphthalen-1-yl-N-propylbut-3-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 105161170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).