8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C22H35NO — CID 10404331

IUPAC8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=C(OCCCC)c1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C22H35NO/c1-5-8-16-24-18(4)21-11-9-10-19-12-13-20(17-22(19)21)23(14-6-2)15-7-3/h9-11,20H,4-8,12-17H2,1-3H3
InChIKeyLCCLHVXVOYZSJL-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.45
Rot. Bonds10

About 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10404331) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10404331
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=C(OCCCC)c1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C22H35NO/c1-5-8-16-24-18(4)21-11-9-10-19-12-13-20(17-22(19)21)23(14-6-2)15-7-3/h9-11,20H,4-8,12-17H2,1-3H3
InChIKeyLCCLHVXVOYZSJL-UHFFFAOYSA-N
XLogP5.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
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 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-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-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
CID 74044271
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine
CID 139908769
(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one
CID 15222437
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate
CID 118668200
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone;[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate;hydrochloride
CID 158289356
[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
CID 10022617
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10426492

Frequently Asked Questions

What is the IUPAC name of 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10404331) is 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is C=C(OCCCC)c1cccc2c1CC(N(CCC)CCC)CC2.
What is the InChIKey of 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LCCLHVXVOYZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-5-8-16-24-18(4)21-11-9-10-19-12-13-20(17-22(19)21)23(14-6-2)15-7-3/h9-11,20H,4-8,12-17H2,1-3H3.
What are the key properties of 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 329.53 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10404331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).