N'-butyl-N',2,2-triethylpropane-1,3-diamine

C13H30N2 — CID 62262666

IUPACN'-butyl-N',2,2-triethylpropane-1,3-diamine
SMILESCCCCN(CC)CC(CC)(CC)CN
InChIInChI=1S/C13H30N2/c1-5-9-10-15(8-4)12-13(6-2,7-3)11-14/h5-12,14H2,1-4H3
InChIKeyQMDGFAZDKHOOBZ-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds9

About N'-butyl-N',2,2-triethylpropane-1,3-diamine

N'-butyl-N',2,2-triethylpropane-1,3-diamine (PubChem CID 62262666) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-butyl-N',2,2-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N',2,2-triethylpropane-1,3-diamine
PubChem CID62262666
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-butyl-N',2,2-triethylpropane-1,3-diamine
SMILESCCCCN(CC)CC(CC)(CC)CN
InChIInChI=1S/C13H30N2/c1-5-9-10-15(8-4)12-13(6-2,7-3)11-14/h5-12,14H2,1-4H3
InChIKeyQMDGFAZDKHOOBZ-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
CID 64998595
N',N',2,2-tetrakis-decylpropane-1,3-diamine
CID 151621553
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
2-butyl-2-ethylhexan-1-amine
CID 62725100
2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
CID 54545518
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,2,2-triethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 62262351
N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine
CID 102997134

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N',2,2-triethylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N',2,2-triethylpropane-1,3-diamine (CID 62262666) is N'-butyl-N',2,2-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N',2,2-triethylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N',2,2-triethylpropane-1,3-diamine is CCCCN(CC)CC(CC)(CC)CN.
What is the InChIKey of N'-butyl-N',2,2-triethylpropane-1,3-diamine?
The InChIKey is QMDGFAZDKHOOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-9-10-15(8-4)12-13(6-2,7-3)11-14/h5-12,14H2,1-4H3.
What are the key properties of N'-butyl-N',2,2-triethylpropane-1,3-diamine?
N'-butyl-N',2,2-triethylpropane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N',2,2-triethylpropane-1,3-diamine is sourced from PubChem (CID 62262666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).