6-(2-adamantylamino)-2-methylheptan-2-ol

C18H33NO — CID 2846608

IUPAC6-(2-adamantylamino)-2-methylheptan-2-ol
SMILESCC(CCCC(C)(C)O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H33NO/c1-12(5-4-6-18(2,3)20)19-17-15-8-13-7-14(10-15)11-16(17)9-13/h12-17,19-20H,4-11H2,1-3H3
InChIKeyKSJXTMFEFVOTFC-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.73
Rot. Bonds6

About 6-(2-adamantylamino)-2-methylheptan-2-ol

6-(2-adamantylamino)-2-methylheptan-2-ol (PubChem CID 2846608) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-(2-adamantylamino)-2-methylheptan-2-ol.

Molecular Properties

Compound Name6-(2-adamantylamino)-2-methylheptan-2-ol
PubChem CID2846608
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name6-(2-adamantylamino)-2-methylheptan-2-ol
SMILESCC(CCCC(C)(C)O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H33NO/c1-12(5-4-6-18(2,3)20)19-17-15-8-13-7-14(10-15)11-16(17)9-13/h12-17,19-20H,4-11H2,1-3H3
InChIKeyKSJXTMFEFVOTFC-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-adamantylamino)-2-methylheptan-2-ol?
The IUPAC name of 6-(2-adamantylamino)-2-methylheptan-2-ol (CID 2846608) is 6-(2-adamantylamino)-2-methylheptan-2-ol.
What is the SMILES notation for 6-(2-adamantylamino)-2-methylheptan-2-ol?
The canonical SMILES for 6-(2-adamantylamino)-2-methylheptan-2-ol is CC(CCCC(C)(C)O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 6-(2-adamantylamino)-2-methylheptan-2-ol?
The InChIKey is KSJXTMFEFVOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-12(5-4-6-18(2,3)20)19-17-15-8-13-7-14(10-15)11-16(17)9-13/h12-17,19-20H,4-11H2,1-3H3.
What are the key properties of 6-(2-adamantylamino)-2-methylheptan-2-ol?
6-(2-adamantylamino)-2-methylheptan-2-ol has a molecular weight of 279.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-adamantylamino)-2-methylheptan-2-ol is sourced from PubChem (CID 2846608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).