10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane

C16H23BrN2 — CID 64869301

IUPAC10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESBrc1ccc(CN2CCCNC3(CCCC3)C2)cc1
InChIInChI=1S/C16H23BrN2/c17-15-6-4-14(5-7-15)12-19-11-3-10-18-16(13-19)8-1-2-9-16/h4-7,18H,1-3,8-13H2
InChIKeyWSAUMQIIKHJSFU-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.56
Rot. Bonds2

About 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane

10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 64869301) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
PubChem CID64869301
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESBrc1ccc(CN2CCCNC3(CCCC3)C2)cc1
InChIInChI=1S/C16H23BrN2/c17-15-6-4-14(5-7-15)12-19-11-3-10-18-16(13-19)8-1-2-9-16/h4-7,18H,1-3,8-13H2
InChIKeyWSAUMQIIKHJSFU-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)methyl]piperazine
CID 876494
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CID 754084
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CID 3704699
1-(4-Bromobenzyl)azepane
CID 791417
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 43221362
Benzenemethanamine, 4-bromo-N-butyl-
CID 485403
N-[(4-bromophenyl)methyl]-2-methylpropan-1-amine
CID 964811
N-Pentyl-p-bromobenzylamine
CID 1814799
(4-Bromobenzyl)isopropylamine
CID 12939866
1-[(4-Bromophenyl)methyl]piperidin-4-amine
CID 23312456

Frequently Asked Questions

What is the IUPAC name of 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane (CID 64869301) is 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane is Brc1ccc(CN2CCCNC3(CCCC3)C2)cc1.
What is the InChIKey of 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is WSAUMQIIKHJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-15-6-4-14(5-7-15)12-19-11-3-10-18-16(13-19)8-1-2-9-16/h4-7,18H,1-3,8-13H2.
What are the key properties of 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 323.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64869301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).