N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine

C16H39N3 — CID 164906965

IUPACN'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)CN(C)C.CCCCN(CCC)CCCN
InChIInChI=1S/C10H24N2.C6H15N/c1-3-5-9-12(8-4-2)10-6-7-11;1-6(2)5-7(3)4/h3-11H2,1-2H3;6H,5H2,1-4H3
InChIKeyIPMUUTSNLYIYGH-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.05
Rot. Bonds10

About N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine

N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine (PubChem CID 164906965) has the molecular formula C16H39N3 and a molecular weight of 273.51 g/mol. Its IUPAC name is N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine
PubChem CID164906965
Molecular FormulaC16H39N3
Molecular Weight273.51 g/mol
Exact Mass273.31
IUPAC NameN'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)CN(C)C.CCCCN(CCC)CCCN
InChIInChI=1S/C10H24N2.C6H15N/c1-3-5-9-12(8-4-2)10-6-7-11;1-6(2)5-7(3)4/h3-11H2,1-2H3;6H,5H2,1-4H3
InChIKeyIPMUUTSNLYIYGH-UHFFFAOYSA-N
XLogP3.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 146254947
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine?
The IUPAC name of N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine (CID 164906965) is N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine is CC(C)CN(C)C.CCCCN(CCC)CCCN.
What is the InChIKey of N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine?
The InChIKey is IPMUUTSNLYIYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C6H15N/c1-3-5-9-12(8-4-2)10-6-7-11;1-6(2)5-7(3)4/h3-11H2,1-2H3;6H,5H2,1-4H3.
What are the key properties of N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine?
N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine has a molecular weight of 273.51 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 164906965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).