N-(3-ethylpentan-2-yl)adamantan-2-amine

C17H31N — CID 55260183

IUPACN-(3-ethylpentan-2-yl)adamantan-2-amine
SMILESCCC(CC)C(C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-4-14(5-2)11(3)18-17-15-7-12-6-13(9-15)10-16(17)8-12/h11-18H,4-10H2,1-3H3
InChIKeyXGKBHZPOFPGRAT-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds5

About N-(3-ethylpentan-2-yl)adamantan-2-amine

N-(3-ethylpentan-2-yl)adamantan-2-amine (PubChem CID 55260183) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)adamantan-2-amine
PubChem CID55260183
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-(3-ethylpentan-2-yl)adamantan-2-amine
SMILESCCC(CC)C(C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-4-14(5-2)11(3)18-17-15-7-12-6-13(9-15)10-16(17)8-12/h11-18H,4-10H2,1-3H3
InChIKeyXGKBHZPOFPGRAT-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)adamantan-2-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)adamantan-2-amine (CID 55260183) is N-(3-ethylpentan-2-yl)adamantan-2-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)adamantan-2-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)adamantan-2-amine is CCC(CC)C(C)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3-ethylpentan-2-yl)adamantan-2-amine?
The InChIKey is XGKBHZPOFPGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-14(5-2)11(3)18-17-15-7-12-6-13(9-15)10-16(17)8-12/h11-18H,4-10H2,1-3H3.
What are the key properties of N-(3-ethylpentan-2-yl)adamantan-2-amine?
N-(3-ethylpentan-2-yl)adamantan-2-amine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)adamantan-2-amine is sourced from PubChem (CID 55260183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).