1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H24BrN3 — CID 79501399

IUPAC1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CCC2(CC1)CN=C(N)N2c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3/c1-2-3-13-8-10-17(11-9-13)12-20-16(19)21(17)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20)
InChIKeyDYLHTNSQNNKEAO-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79501399) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79501399
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CCC2(CC1)CN=C(N)N2c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3/c1-2-3-13-8-10-17(11-9-13)12-20-16(19)21(17)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20)
InChIKeyDYLHTNSQNNKEAO-UHFFFAOYSA-N
XLogP4.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromo-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 12148065
1-(4-Bromo-phenyl)-6-isopropyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325300
1,3,5-Triazaspiro(5.5)undeca-2,4-diene, 1-(2-bromophenyl)-2,4-diamino-9-methyl-, hydrochloride
CID 3057048
1,3,5-Triazaspiro(5.5)undeca-2,4-diene, 1-(4-bromophenyl)-2,4-diamino-9-methyl-, hydrochloride
CID 3057050
1-beta-Phenylethyl-5-p-bromophenyl biguanide hydrochloride
CID 24835749
N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 102432702
5-(2-Bromophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 3057049
5-(4-Bromophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 3057051
5-(4-Bromo-2-fluorophenyl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79497531
5-(3-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79498979
5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79498980
5-(5-Bromo-2-fluorophenyl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79499023

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79501399) is 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCC1CCC2(CC1)CN=C(N)N2c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DYLHTNSQNNKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-2-3-13-8-10-17(11-9-13)12-20-16(19)21(17)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H2,19,20).
What are the key properties of 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 350.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79501399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).