N-(2-phenylpropan-2-yl)adamantan-1-amine

C19H27N — CID 102026641

IUPACN-(2-phenylpropan-2-yl)adamantan-1-amine
SMILESCC(C)(NC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H27N/c1-18(2,17-6-4-3-5-7-17)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h3-7,14-16,20H,8-13H2,1-2H3
InChIKeyBQHSXUOUYVSLGD-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.48
Rot. Bonds3

About N-(2-phenylpropan-2-yl)adamantan-1-amine

N-(2-phenylpropan-2-yl)adamantan-1-amine (PubChem CID 102026641) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)adamantan-1-amine
PubChem CID102026641
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-(2-phenylpropan-2-yl)adamantan-1-amine
SMILESCC(C)(NC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H27N/c1-18(2,17-6-4-3-5-7-17)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h3-7,14-16,20H,8-13H2,1-2H3
InChIKeyBQHSXUOUYVSLGD-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)adamantan-1-amine?
The IUPAC name of N-(2-phenylpropan-2-yl)adamantan-1-amine (CID 102026641) is N-(2-phenylpropan-2-yl)adamantan-1-amine.
What is the SMILES notation for N-(2-phenylpropan-2-yl)adamantan-1-amine?
The canonical SMILES for N-(2-phenylpropan-2-yl)adamantan-1-amine is CC(C)(NC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)adamantan-1-amine?
The InChIKey is BQHSXUOUYVSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-18(2,17-6-4-3-5-7-17)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h3-7,14-16,20H,8-13H2,1-2H3.
What are the key properties of N-(2-phenylpropan-2-yl)adamantan-1-amine?
N-(2-phenylpropan-2-yl)adamantan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)adamantan-1-amine is sourced from PubChem (CID 102026641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).