1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine

C16H25BrN2 — CID 62618045

IUPAC1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-18-16(13-6-5-7-14(17)12-13)10-11-19(2)15-8-3-4-9-15/h5-7,12,15-16,18H,3-4,8-11H2,1-2H3
InChIKeyFRKCZULDQHKGFD-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine

1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62618045) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID62618045
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-18-16(13-6-5-7-14(17)12-13)10-11-19(2)15-8-3-4-9-15/h5-7,12,15-16,18H,3-4,8-11H2,1-2H3
InChIKeyFRKCZULDQHKGFD-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743614
1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62619786
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981
1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62619148
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine (CID 62618045) is 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)C1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is FRKCZULDQHKGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-18-16(13-6-5-7-14(17)12-13)10-11-19(2)15-8-3-4-9-15/h5-7,12,15-16,18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62618045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).