N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine

C15H23BrN2 — CID 103069623

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-4-9-17-10-13(2)11-18(3)12-14-5-7-15(16)8-6-14/h5-8,17H,2,4,9-12H2,1,3H3
InChIKeyZNBBXRGYZOLQEC-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.44
Rot. Bonds8

About N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine

N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine (PubChem CID 103069623) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
PubChem CID103069623
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-4-9-17-10-13(2)11-18(3)12-14-5-7-15(16)8-6-14/h5-8,17H,2,4,9-12H2,1,3H3
InChIKeyZNBBXRGYZOLQEC-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069682
N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 103069146
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[(5-bromothiophen-3-yl)methyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103069893
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62556390
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine (CID 103069623) is N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
The InChIKey is ZNBBXRGYZOLQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-9-17-10-13(2)11-18(3)12-14-5-7-15(16)8-6-14/h5-8,17H,2,4,9-12H2,1,3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine?
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103069623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).