3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine

C10H24N2 — CID 91045887

IUPAC3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCN(CC)C(C)CCN(C)C
InChIInChI=1S/C10H24N2/c1-6-12(7-2)10(3)8-9-11(4)5/h10H,6-9H2,1-5H3
InChIKeyJGXQCAUZMAOCDI-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.67
Rot. Bonds6

About 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine

3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 91045887) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID91045887
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCN(CC)C(C)CCN(C)C
InChIInChI=1S/C10H24N2/c1-6-12(7-2)10(3)8-9-11(4)5/h10H,6-9H2,1-5H3
InChIKeyJGXQCAUZMAOCDI-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol
CID 143803190
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
4-(diethylamino)pentan-1-ol
CID 87480053
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
N,N-dimethylethanamine;2-methylpropane
CID 145274023
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
5-N,5-N-diethylhexane-1,5-diamine
CID 20587648

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine (CID 91045887) is 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine is CCN(CC)C(C)CCN(C)C.
What is the InChIKey of 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is JGXQCAUZMAOCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-12(7-2)10(3)8-9-11(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine?
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 91045887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).