N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine

C14H23BrN2 — CID 144675308

IUPACN'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine
SMILESCCC(CCN)CCNCc1cccc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-2-12(6-8-16)7-9-17-11-13-4-3-5-14(15)10-13/h3-5,10,12,17H,2,6-9,11,16H2,1H3
InChIKeyLTXKUJFMCGNDDT-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.30
Rot. Bonds8

About N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine

N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine (PubChem CID 144675308) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine
PubChem CID144675308
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine
SMILESCCC(CCN)CCNCc1cccc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-2-12(6-8-16)7-9-17-11-13-4-3-5-14(15)10-13/h3-5,10,12,17H,2,6-9,11,16H2,1H3
InChIKeyLTXKUJFMCGNDDT-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-bromophenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201979
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CID 61400861
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555
N-[(3-bromophenyl)methyl]-5-chloro-4-methylpentan-1-amine
CID 106153014
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine?
The IUPAC name of N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine (CID 144675308) is N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine is CCC(CCN)CCNCc1cccc(Br)c1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine?
The InChIKey is LTXKUJFMCGNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-2-12(6-8-16)7-9-17-11-13-4-3-5-14(15)10-13/h3-5,10,12,17H,2,6-9,11,16H2,1H3.
What are the key properties of N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine?
N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]-3-ethylpentane-1,5-diamine is sourced from PubChem (CID 144675308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).