2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine

C20H44N2 — CID 138712839

IUPAC2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine
SMILESCC(NC(C)(C)CC(C)(C)C(C)(C)N)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H44N2/c1-15(17(5,6)13-16(2,3)4)22-19(9,10)14-18(7,8)20(11,12)21/h15,22H,13-14,21H2,1-12H3
InChIKeyKRIVWCAJOGHDGM-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.36
Rot. Bonds7

About 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine

2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine (PubChem CID 138712839) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine.

Molecular Properties

Compound Name2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine
PubChem CID138712839
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine
SMILESCC(NC(C)(C)CC(C)(C)C(C)(C)N)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H44N2/c1-15(17(5,6)13-16(2,3)4)22-19(9,10)14-18(7,8)20(11,12)21/h15,22H,13-14,21H2,1-12H3
InChIKeyKRIVWCAJOGHDGM-UHFFFAOYSA-N
XLogP5.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethylhexan-2-amine
CID 143433307
2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
CID 167343931
2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 64993737
N-hexan-2-yl-2,4,4-trimethylpentan-2-amine
CID 43788200
6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine
CID 146572754
N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine
CID 170038627
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
2,3,3,5,5-pentamethylhexaneperoxoic acid
CID 88592568
1-(2,4,4-trimethylpentan-2-ylamino)butan-1-ol
CID 154119880
N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 43788223
2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one
CID 174038150
2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine?
The IUPAC name of 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine (CID 138712839) is 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine.
What is the SMILES notation for 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine?
The canonical SMILES for 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine is CC(NC(C)(C)CC(C)(C)C(C)(C)N)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine?
The InChIKey is KRIVWCAJOGHDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-15(17(5,6)13-16(2,3)4)22-19(9,10)14-18(7,8)20(11,12)21/h15,22H,13-14,21H2,1-12H3.
What are the key properties of 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine?
2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine has a molecular weight of 312.59 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine is sourced from PubChem (CID 138712839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).