1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine

C16H25BrN2 — CID 62617204

IUPAC1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C16H25BrN2/c1-2-19(15-5-3-4-6-15)12-11-16(18)13-7-9-14(17)10-8-13/h7-10,15-16H,2-6,11-12,18H2,1H3
InChIKeySHVSCTHFMSWLEB-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine

1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine (PubChem CID 62617204) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
PubChem CID62617204
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C16H25BrN2/c1-2-19(15-5-3-4-6-15)12-11-16(18)13-7-9-14(17)10-8-13/h7-10,15-16H,2-6,11-12,18H2,1H3
InChIKeySHVSCTHFMSWLEB-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310265
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine (CID 62617204) is 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine is CCN(CCC(N)c1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine?
The InChIKey is SHVSCTHFMSWLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-2-19(15-5-3-4-6-15)12-11-16(18)13-7-9-14(17)10-8-13/h7-10,15-16H,2-6,11-12,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine has a molecular weight of 325.29 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 62617204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).