N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H21NO — CID 43207352

IUPACN-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=COCCCNC1CCCc2ccccc21
InChIInChI=1S/C15H21NO/c1-2-17-12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h2-4,7,9,15-16H,1,5-6,8,10-12H2
InChIKeyUKKCAFZFSNTQJA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds6

About N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43207352) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43207352
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=COCCCNC1CCCc2ccccc21
InChIInChI=1S/C15H21NO/c1-2-17-12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h2-4,7,9,15-16H,1,5-6,8,10-12H2
InChIKeyUKKCAFZFSNTQJA-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-ethenoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724299
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43207352) is N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine is C=COCCCNC1CCCc2ccccc21.
What is the InChIKey of N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UKKCAFZFSNTQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-17-12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h2-4,7,9,15-16H,1,5-6,8,10-12H2.
What are the key properties of N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43207352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).