1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine

C17H42N4O — CID 159476116

IUPAC1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine
SMILESCC(C)(CCN)CC(O)CN.CC(CCN)CC(C)(C)CN
InChIInChI=1S/C9H22N2.C8H20N2O/c1-8(4-5-10)6-9(2,3)7-11;1-8(2,3-4-9)5-7(11)6-10/h8H,4-7,10-11H2,1-3H3;7,11H,3-6,9-10H2,1-2H3
InChIKeyLWKBWWVZSKDXPD-UHFFFAOYSA-N
MW318.55 g/mol
LogP1.42
Rot. Bonds10

About 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine

1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine (PubChem CID 159476116) has the molecular formula C17H42N4O and a molecular weight of 318.55 g/mol. Its IUPAC name is 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine.

Molecular Properties

Compound Name1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine
PubChem CID159476116
Molecular FormulaC17H42N4O
Molecular Weight318.55 g/mol
Exact Mass318.34
IUPAC Name1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine
SMILESCC(C)(CCN)CC(O)CN.CC(CCN)CC(C)(C)CN
InChIInChI=1S/C9H22N2.C8H20N2O/c1-8(4-5-10)6-9(2,3)7-11;1-8(2,3-4-9)5-7(11)6-10/h8H,4-7,10-11H2,1-3H3;7,11H,3-6,9-10H2,1-2H3
InChIKeyLWKBWWVZSKDXPD-UHFFFAOYSA-N
XLogP1.42
TPSA124.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 51.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine with MolForge

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Related Compounds

1,6-Diamino-4,4-dimethylhexan-2-ol
CID 18683532
Azane;2-ethylhexan-1-amine;hexan-2-ol
CID 20363359
1-Amino-4,4-dimethylhexan-2-ol
CID 55289824
1-Amino-5,5-dimethylhexan-2-ol
CID 65985840
1-Amino-3,3,5-trimethylhexan-2-ol
CID 83694806
(2S)-1-amino-3-tert-butyl-5,5-dimethylhexan-2-ol
CID 89029356
6-Amino-3,3,5,5-tetramethylhexan-2-ol
CID 139569392
1-Amino-3-ethylhexan-2-ol
CID 143109924
1-Amino-3-methylhexan-2-ol;ethane
CID 143109936
1-Amino-3,3,5,5-tetramethylhexan-2-ol
CID 164153034
6-Amino-3,3-dimethylhexan-2-ol;ethane
CID 164595351
6-Amino-3,5,5-trimethylhexan-2-ol
CID 166782107

Frequently Asked Questions

What is the IUPAC name of 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine?
The IUPAC name of 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine (CID 159476116) is 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine.
What is the SMILES notation for 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine?
The canonical SMILES for 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine is CC(C)(CCN)CC(O)CN.CC(CCN)CC(C)(C)CN.
What is the InChIKey of 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine?
The InChIKey is LWKBWWVZSKDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C8H20N2O/c1-8(4-5-10)6-9(2,3)7-11;1-8(2,3-4-9)5-7(11)6-10/h8H,4-7,10-11H2,1-3H3;7,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine?
1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine has a molecular weight of 318.55 g/mol, XLogP of 1.42, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine is sourced from PubChem (CID 159476116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).