N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine

C14H34N4 — CID 167586856

IUPACN'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
SMILESCCCCN(C)CCN(C)CCN(C)CCCN
InChIInChI=1S/C14H34N4/c1-5-6-9-16(2)11-13-18(4)14-12-17(3)10-7-8-15/h5-15H2,1-4H3
InChIKeyKNHNEVHDHHZVDM-UHFFFAOYSA-N
MW258.45 g/mol
LogP0.93
Rot. Bonds12

About N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine

N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 167586856) has the molecular formula C14H34N4 and a molecular weight of 258.45 g/mol. Its IUPAC name is N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
PubChem CID167586856
Molecular FormulaC14H34N4
Molecular Weight258.45 g/mol
Exact Mass258.28
IUPAC NameN'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
SMILESCCCCN(C)CCN(C)CCN(C)CCCN
InChIInChI=1S/C14H34N4/c1-5-6-9-16(2)11-13-18(4)14-12-17(3)10-7-8-15/h5-15H2,1-4H3
InChIKeyKNHNEVHDHHZVDM-UHFFFAOYSA-N
XLogP0.93
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane
CID 159083467
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N-butyl-N-methylpentan-1-amine
CID 54060013
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine (CID 167586856) is N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine is CCCCN(C)CCN(C)CCN(C)CCCN.
What is the InChIKey of N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is KNHNEVHDHHZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4/c1-5-6-9-16(2)11-13-18(4)14-12-17(3)10-7-8-15/h5-15H2,1-4H3.
What are the key properties of N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 258.45 g/mol, XLogP of 0.93, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 167586856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).