N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine

C16H27BrN2 — CID 62411901

IUPACN'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H27BrN2/c1-3-11-18-12-5-4-6-13-19(2)14-15-7-9-16(17)10-8-15/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyHCBIWWYQSSSDDW-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.05
Rot. Bonds10

About N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine

N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine (PubChem CID 62411901) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
PubChem CID62411901
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC NameN'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H27BrN2/c1-3-11-18-12-5-4-6-13-19(2)14-15-7-9-16(17)10-8-15/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyHCBIWWYQSSSDDW-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62556390
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
N'-methyl-N'-[(4-methylphenyl)methyl]-N-pentylethane-1,2-diamine
CID 62573254
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
N'-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409088
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine (CID 62411901) is N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine is CCCNCCCCCN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine?
The InChIKey is HCBIWWYQSSSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-3-11-18-12-5-4-6-13-19(2)14-15-7-9-16(17)10-8-15/h7-10,18H,3-6,11-14H2,1-2H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine?
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine has a molecular weight of 327.31 g/mol, XLogP of 4.05, 10 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-N-propylpentane-1,5-diamine is sourced from PubChem (CID 62411901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).