4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C13H17N — CID 20633114

IUPAC4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC/C=C/c1ccc(N)c2c1CCCC2
InChIInChI=1S/C13H17N/c1-2-5-10-8-9-13(14)12-7-4-3-6-11(10)12/h2,5,8-9H,3-4,6-7,14H2,1H3/b5-2+
InChIKeyRBXUMBIUSHLYKZ-GORDUTHDSA-N
MW187.29 g/mol
LogP3.18
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine

4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 20633114) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID20633114
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC/C=C/c1ccc(N)c2c1CCCC2
InChIInChI=1S/C13H17N/c1-2-5-10-8-9-13(14)12-7-4-3-6-11(10)12/h2,5,8-9H,3-4,6-7,14H2,1H3/b5-2+
InChIKeyRBXUMBIUSHLYKZ-GORDUTHDSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[4-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]but-2-en-1-one
CID 89203299
1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
CID 53402832
6,7-bis[(Z)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 174010149
2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline
CID 143680778
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
CID 158430591
2,3-dichloro-6-[(E)-prop-1-enyl]aniline
CID 11790257
3-ethylidene-7-methyl-4-prop-1-enyl-1,2-dihydroindene
CID 90753145
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
5-[(Z)-prop-1-enyl]quinolin-6-amine
CID 142145826
2-(cyclohexylidenemethyl)aniline
CID 19754672
N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine
CID 170194791

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 20633114) is 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine is C/C=C/c1ccc(N)c2c1CCCC2.
What is the InChIKey of 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is RBXUMBIUSHLYKZ-GORDUTHDSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-10-8-9-13(14)12-7-4-3-6-11(10)12/h2,5,8-9H,3-4,6-7,14H2,1H3/b5-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 187.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 20633114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).