N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine

C8H21N3 — CID 13307740

IUPACN'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCN)CCCCN
InChIInChI=1S/C8H21N3/c1-11(8-4-6-10)7-3-2-5-9/h2-10H2,1H3
InChIKeyAJVLOCDDVDBRHR-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.01
Rot. Bonds7

About N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine

N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine (PubChem CID 13307740) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
PubChem CID13307740
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCN)CCCCN
InChIInChI=1S/C8H21N3/c1-11(8-4-6-10)7-3-2-5-9/h2-10H2,1H3
InChIKeyAJVLOCDDVDBRHR-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'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
N'-[2-[2-[8-aminooctyl(methyl)amino]ethyldisulfanyl]ethyl]-N'-methyloctane-1,8-diamine
CID 12676116
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane
CID 159083467
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
CID 112660737
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine (CID 13307740) is N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine is CN(CCCN)CCCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine?
The InChIKey is AJVLOCDDVDBRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-11(8-4-6-10)7-3-2-5-9/h2-10H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine?
N'-(3-aminopropyl)-N'-methylbutane-1,4-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'-(3-aminopropyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 13307740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).