N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine

C8H21N3 — CID 57004343

IUPACN'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
SMILESCN(CCN)CCCCCN
InChIInChI=1S/C8H21N3/c1-11(8-6-10)7-4-2-3-5-9/h2-10H2,1H3
InChIKeyBIZMHXXYQHVBDS-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.01
Rot. Bonds7

About N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine

N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine (PubChem CID 57004343) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
PubChem CID57004343
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
SMILESCN(CCN)CCCCCN
InChIInChI=1S/C8H21N3/c1-11(8-6-10)7-4-2-3-5-9/h2-10H2,1H3
InChIKeyBIZMHXXYQHVBDS-UHFFFAOYSA-N
XLogP0.01
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N'-[2-[2-[8-aminooctyl(methyl)amino]ethyldisulfanyl]ethyl]-N'-methyloctane-1,8-diamine
CID 12676116
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
CID 112660737
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
N'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine (CID 57004343) is N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine is CN(CCN)CCCCCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine?
The InChIKey is BIZMHXXYQHVBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-11(8-6-10)7-4-2-3-5-9/h2-10H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine?
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 57004343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).