(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine

C16H23N — CID 82288633

IUPAC(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine
SMILESC/C(=C\CCCN)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23N/c1-13(6-4-5-11-17)15-10-9-14-7-2-3-8-16(14)12-15/h6,9-10,12H,2-5,7-8,11,17H2,1H3/b13-6+
InChIKeyTVOSHVZBMWEQHV-AWNIVKPZSA-N
MW229.37 g/mol
LogP3.71
Rot. Bonds4

About (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine

(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine (PubChem CID 82288633) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine
PubChem CID82288633
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine
SMILESC/C(=C\CCCN)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23N/c1-13(6-4-5-11-17)15-10-9-14-7-2-3-8-16(14)12-15/h6,9-10,12H,2-5,7-8,11,17H2,1H3/b13-6+
InChIKeyTVOSHVZBMWEQHV-AWNIVKPZSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
(E)-5-(4-phenylphenyl)hex-4-en-1-amine
CID 95462396
6-[(E)-1-(3,7-dimethyloct-6-enoxy)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 146278013
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 15468364
5-pyridin-3-ylhex-4-en-1-amine
CID 57174688
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
CID 155718260
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
CID 160531205

Frequently Asked Questions

What is the IUPAC name of (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine?
The IUPAC name of (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine (CID 82288633) is (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine.
What is the SMILES notation for (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine?
The canonical SMILES for (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine is C/C(=C\CCCN)c1ccc2c(c1)CCCC2.
What is the InChIKey of (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine?
The InChIKey is TVOSHVZBMWEQHV-AWNIVKPZSA-N. The full InChI is InChI=1S/C16H23N/c1-13(6-4-5-11-17)15-10-9-14-7-2-3-8-16(14)12-15/h6,9-10,12H,2-5,7-8,11,17H2,1H3/b13-6+.
What are the key properties of (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine?
(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine is sourced from PubChem (CID 82288633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).