1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine

C18H29BrN2 — CID 63495491

IUPAC1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C18H29BrN2/c1-20-18(16-11-7-8-12-17(16)19)13-14-21(2)15-9-5-3-4-6-10-15/h7-8,11-12,15,18,20H,3-6,9-10,13-14H2,1-2H3
InChIKeySGCWGDLOPSFPRD-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.75
Rot. Bonds6

About 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine

1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 63495491) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID63495491
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C18H29BrN2/c1-20-18(16-11-7-8-12-17(16)19)13-14-21(2)15-9-5-3-4-6-10-15/h7-8,11-12,15,18,20H,3-6,9-10,13-14H2,1-2H3
InChIKeySGCWGDLOPSFPRD-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine (CID 63495491) is 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)C1CCCCCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is SGCWGDLOPSFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-20-18(16-11-7-8-12-17(16)19)13-14-21(2)15-9-5-3-4-6-10-15/h7-8,11-12,15,18,20H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine?
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 353.35 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63495491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).