6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine

C24H53N3 — CID 21469942

IUPAC6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine
SMILESCCCCC(NCCN)C(CCCC)(CCCC)N(CCCC)CCCC
InChIInChI=1S/C24H53N3/c1-6-11-16-23(26-20-19-25)24(17-12-7-2,18-13-8-3)27(21-14-9-4)22-15-10-5/h23,26H,6-22,25H2,1-5H3
InChIKeyQQPRIIGEJVOEPN-UHFFFAOYSA-N
MW383.71 g/mol
LogP6.11
Rot. Bonds20

About 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine

6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine (PubChem CID 21469942) has the molecular formula C24H53N3 and a molecular weight of 383.71 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine
PubChem CID21469942
Molecular FormulaC24H53N3
Molecular Weight383.71 g/mol
Exact Mass383.42
IUPAC Name6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine
SMILESCCCCC(NCCN)C(CCCC)(CCCC)N(CCCC)CCCC
InChIInChI=1S/C24H53N3/c1-6-11-16-23(26-20-19-25)24(17-12-7-2,18-13-8-3)27(21-14-9-4)22-15-10-5/h23,26H,6-22,25H2,1-5H3
InChIKeyQQPRIIGEJVOEPN-UHFFFAOYSA-N
XLogP6.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine
CID 139681919
N,N,5-tributylnonan-5-amine
CID 175088572
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992
4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine
CID 88952934
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
1-N',1-N',1-N",1-N"-tetrabutyl-1-N,2-N-dimethyldecane-1,1,1,2-tetramine
CID 151707623
3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine?
The IUPAC name of 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine (CID 21469942) is 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine.
What is the SMILES notation for 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine?
The canonical SMILES for 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine is CCCCC(NCCN)C(CCCC)(CCCC)N(CCCC)CCCC.
What is the InChIKey of 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine?
The InChIKey is QQPRIIGEJVOEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53N3/c1-6-11-16-23(26-20-19-25)24(17-12-7-2,18-13-8-3)27(21-14-9-4)22-15-10-5/h23,26H,6-22,25H2,1-5H3.
What are the key properties of 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine?
6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine has a molecular weight of 383.71 g/mol, XLogP of 6.11, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine is sourced from PubChem (CID 21469942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).