(E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one

C19H27NO — CID 143193793

IUPAC(E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one
SMILESCCCCc1cc(/C=C(/N)C(=O)CC)cc2c1CCCC2
InChIInChI=1S/C19H27NO/c1-3-5-8-15-11-14(13-18(20)19(21)4-2)12-16-9-6-7-10-17(15)16/h11-13H,3-10,20H2,1-2H3/b18-13+
InChIKeyJYGQYVWVCQAXJD-QGOAFFKASA-N
MW285.43 g/mol
LogP4.19
Rot. Bonds6

About (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one

(E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one (PubChem CID 143193793) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one.

Molecular Properties

Compound Name(E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one
PubChem CID143193793
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one
SMILESCCCCc1cc(/C=C(/N)C(=O)CC)cc2c1CCCC2
InChIInChI=1S/C19H27NO/c1-3-5-8-15-11-14(13-18(20)19(21)4-2)12-16-9-6-7-10-17(15)16/h11-13H,3-10,20H2,1-2H3/b18-13+
InChIKeyJYGQYVWVCQAXJD-QGOAFFKASA-N
XLogP4.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
CID 154132660
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 165075816
11-butyl-1,2,3,4-tetrahydrochrysene
CID 625666
5-butyl-4-methyl-2,3-dihydro-1H-indene
CID 86046523
3-[(dibutylamino)methyl]-1-[3-[(dibutylamino)methyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 46217208
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162
2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 101048600
sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
CID 175793204
2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 18770874
(E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)hept-2-enoic acid
CID 82049643
7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde
CID 176789425

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one?
The IUPAC name of (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one (CID 143193793) is (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one.
What is the SMILES notation for (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one?
The canonical SMILES for (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one is CCCCc1cc(/C=C(/N)C(=O)CC)cc2c1CCCC2.
What is the InChIKey of (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one?
The InChIKey is JYGQYVWVCQAXJD-QGOAFFKASA-N. The full InChI is InChI=1S/C19H27NO/c1-3-5-8-15-11-14(13-18(20)19(21)4-2)12-16-9-6-7-10-17(15)16/h11-13H,3-10,20H2,1-2H3/b18-13+.
What are the key properties of (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one?
(E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one has a molecular weight of 285.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-1-(4-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-en-3-one is sourced from PubChem (CID 143193793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).