1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine

C22H48N2 — CID 175078779

IUPAC1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine
SMILESCCCCC(CN(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C22H48N2/c1-6-11-16-22(24(19-14-9-4)20-15-10-5)21-23(17-12-7-2)18-13-8-3/h22H,6-21H2,1-5H3
InChIKeyRVUPJEIMESJCBO-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.35
Rot. Bonds18

About 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine

1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine (PubChem CID 175078779) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine
PubChem CID175078779
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC Name1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine
SMILESCCCCC(CN(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C22H48N2/c1-6-11-16-22(24(19-14-9-4)20-15-10-5)21-23(17-12-7-2)18-13-8-3/h22H,6-21H2,1-5H3
InChIKeyRVUPJEIMESJCBO-UHFFFAOYSA-N
XLogP6.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
N,N-dibutyltridecan-4-amine
CID 139649762
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N-butyl-N-methylnonan-5-amine
CID 175231488
3-[(dibutylamino)methyl]heptane-1-thiol
CID 23362527
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
4-(dipropylamino)octane-1-thiol
CID 23362469
1-(dibutylamino)undecan-2-ol
CID 101275149
3-[ethyl(nonan-5-yl)amino]propan-1-ol
CID 88539707

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine (CID 175078779) is 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine is CCCCC(CN(CCCC)CCCC)N(CCCC)CCCC.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine?
The InChIKey is RVUPJEIMESJCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-6-11-16-22(24(19-14-9-4)20-15-10-5)21-23(17-12-7-2)18-13-8-3/h22H,6-21H2,1-5H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine?
1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.35, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine is sourced from PubChem (CID 175078779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).