N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine

C13H30N2 — CID 171081221

IUPACN-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine
SMILESCCCCN(C)CC(CC)CCN(C)C
InChIInChI=1S/C13H30N2/c1-6-8-10-15(5)12-13(7-2)9-11-14(3)4/h13H,6-12H2,1-5H3
InChIKeyHGUSAUURYFOTHL-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.70
Rot. Bonds9

About N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine

N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine (PubChem CID 171081221) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine
PubChem CID171081221
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine
SMILESCCCCN(C)CC(CC)CCN(C)C
InChIInChI=1S/C13H30N2/c1-6-8-10-15(5)12-13(7-2)9-11-14(3)4/h13H,6-12H2,1-5H3
InChIKeyHGUSAUURYFOTHL-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
N-(2-chloroethyl)-2-ethyl-N-methylhexan-1-amine
CID 63386815
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
ethane;N,N,3,4-tetramethyloctan-1-amine
CID 144533444
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
2-[2-(dimethylamino)ethyl]hexane-1-thiol
CID 23362368
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
CID 63700771
3-[butyl(methyl)amino]propane-1,1-diol
CID 87637565
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine?
The IUPAC name of N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine (CID 171081221) is N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine?
The canonical SMILES for N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine is CCCCN(C)CC(CC)CCN(C)C.
What is the InChIKey of N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine?
The InChIKey is HGUSAUURYFOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-8-10-15(5)12-13(7-2)9-11-14(3)4/h13H,6-12H2,1-5H3.
What are the key properties of N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine?
N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine is sourced from PubChem (CID 171081221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).