N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine

C17H25N — CID 79590299

IUPACN-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine
SMILESCCNCCC=CCC1CCCc2ccccc21
InChIInChI=1S/C17H25N/c1-2-18-14-7-3-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h3-6,10,13,15,18H,2,7-9,11-12,14H2,1H3
InChIKeyBPKKRDPYHSHICU-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine

N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine (PubChem CID 79590299) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine
PubChem CID79590299
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine
SMILESCCNCCC=CCC1CCCc2ccccc21
InChIInChI=1S/C17H25N/c1-2-18-14-7-3-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h3-6,10,13,15,18H,2,7-9,11-12,14H2,1H3
InChIKeyBPKKRDPYHSHICU-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
CID 124705366
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine?
The IUPAC name of N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine (CID 79590299) is N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine.
What is the SMILES notation for N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine?
The canonical SMILES for N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine is CCNCCC=CCC1CCCc2ccccc21.
What is the InChIKey of N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine?
The InChIKey is BPKKRDPYHSHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-18-14-7-3-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h3-6,10,13,15,18H,2,7-9,11-12,14H2,1H3.
What are the key properties of N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine?
N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-en-1-amine is sourced from PubChem (CID 79590299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).