1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine

C15H34N2 — CID 138662279

IUPAC1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
SMILESCC(C)C(CCCN(C)C(C)C(C)C)N(C)C
InChIInChI=1S/C15H34N2/c1-12(2)14(5)17(8)11-9-10-15(13(3)4)16(6)7/h12-15H,9-11H2,1-8H3
InChIKeyIISPDWUKJRHBDI-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.33
Rot. Bonds8

About 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine

1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine (PubChem CID 138662279) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
PubChem CID138662279
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
SMILESCC(C)C(CCCN(C)C(C)C(C)C)N(C)C
InChIInChI=1S/C15H34N2/c1-12(2)14(5)17(8)11-9-10-15(13(3)4)16(6)7/h12-15H,9-11H2,1-8H3
InChIKeyIISPDWUKJRHBDI-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
CID 43570225
(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 158122450
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 60850482
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
CID 62434303
N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
CID 162353486
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
(2R)-2-(dimethylamino)-3-methylbutan-1-ol
CID 93492101
(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
CID 54447002

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine?
The IUPAC name of 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine (CID 138662279) is 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine?
The canonical SMILES for 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine is CC(C)C(CCCN(C)C(C)C(C)C)N(C)C.
What is the InChIKey of 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine?
The InChIKey is IISPDWUKJRHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-12(2)14(5)17(8)11-9-10-15(13(3)4)16(6)7/h12-15H,9-11H2,1-8H3.
What are the key properties of 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine?
1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine is sourced from PubChem (CID 138662279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).