2,5,5,6,9,9-hexamethyldecane-3,7-diamine

C16H36N2 — CID 130251499

IUPAC2,5,5,6,9,9-hexamethyldecane-3,7-diamine
SMILESCC(C)C(N)CC(C)(C)C(C)C(N)CC(C)(C)C
InChIInChI=1S/C16H36N2/c1-11(2)13(17)10-16(7,8)12(3)14(18)9-15(4,5)6/h11-14H,9-10,17-18H2,1-8H3
InChIKeySLMZVHQWOXDNGJ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.79
Rot. Bonds6

About 2,5,5,6,9,9-hexamethyldecane-3,7-diamine

2,5,5,6,9,9-hexamethyldecane-3,7-diamine (PubChem CID 130251499) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2,5,5,6,9,9-hexamethyldecane-3,7-diamine.

Molecular Properties

Compound Name2,5,5,6,9,9-hexamethyldecane-3,7-diamine
PubChem CID130251499
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2,5,5,6,9,9-hexamethyldecane-3,7-diamine
SMILESCC(C)C(N)CC(C)(C)C(C)C(N)CC(C)(C)C
InChIInChI=1S/C16H36N2/c1-11(2)13(17)10-16(7,8)12(3)14(18)9-15(4,5)6/h11-14H,9-10,17-18H2,1-8H3
InChIKeySLMZVHQWOXDNGJ-UHFFFAOYSA-N
XLogP3.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3,5,5-tetramethylhexan-2-amine
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3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
6,6-difluoro-2-methylheptan-3-amine
CID 126844363
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
2,9-dimethyldecane-3,8-diamine
CID 87559181
5,5,6,7,7,9,9-heptamethyldecan-3-amine
CID 123992733
3-methyl-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139327187
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
3-fluoro-5,5-dimethylhexan-2-amine
CID 105429117

Frequently Asked Questions

What is the IUPAC name of 2,5,5,6,9,9-hexamethyldecane-3,7-diamine?
The IUPAC name of 2,5,5,6,9,9-hexamethyldecane-3,7-diamine (CID 130251499) is 2,5,5,6,9,9-hexamethyldecane-3,7-diamine.
What is the SMILES notation for 2,5,5,6,9,9-hexamethyldecane-3,7-diamine?
The canonical SMILES for 2,5,5,6,9,9-hexamethyldecane-3,7-diamine is CC(C)C(N)CC(C)(C)C(C)C(N)CC(C)(C)C.
What is the InChIKey of 2,5,5,6,9,9-hexamethyldecane-3,7-diamine?
The InChIKey is SLMZVHQWOXDNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-11(2)13(17)10-16(7,8)12(3)14(18)9-15(4,5)6/h11-14H,9-10,17-18H2,1-8H3.
What are the key properties of 2,5,5,6,9,9-hexamethyldecane-3,7-diamine?
2,5,5,6,9,9-hexamethyldecane-3,7-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6,9,9-hexamethyldecane-3,7-diamine is sourced from PubChem (CID 130251499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).