N-(3-cyclopropylcyclohexyl)adamantan-2-amine

C19H31N — CID 64594858

IUPACN-(3-cyclopropylcyclohexyl)adamantan-2-amine
SMILESC1CC(NC2C3CC4CC(C3)CC2C4)CC(C2CC2)C1
InChIInChI=1S/C19H31N/c1-2-15(14-4-5-14)11-18(3-1)20-19-16-7-12-6-13(9-16)10-17(19)8-12/h12-20H,1-11H2
InChIKeyHHLDDZTXCDPGSC-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.37
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)adamantan-2-amine

N-(3-cyclopropylcyclohexyl)adamantan-2-amine (PubChem CID 64594858) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)adamantan-2-amine
PubChem CID64594858
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(3-cyclopropylcyclohexyl)adamantan-2-amine
SMILESC1CC(NC2C3CC4CC(C3)CC2C4)CC(C2CC2)C1
InChIInChI=1S/C19H31N/c1-2-15(14-4-5-14)11-18(3-1)20-19-16-7-12-6-13(9-16)10-17(19)8-12/h12-20H,1-11H2
InChIKeyHHLDDZTXCDPGSC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)adamantan-2-amine?
The IUPAC name of N-(3-cyclopropylcyclohexyl)adamantan-2-amine (CID 64594858) is N-(3-cyclopropylcyclohexyl)adamantan-2-amine.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)adamantan-2-amine?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)adamantan-2-amine is C1CC(NC2C3CC4CC(C3)CC2C4)CC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)adamantan-2-amine?
The InChIKey is HHLDDZTXCDPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-2-15(14-4-5-14)11-18(3-1)20-19-16-7-12-6-13(9-16)10-17(19)8-12/h12-20H,1-11H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)adamantan-2-amine?
N-(3-cyclopropylcyclohexyl)adamantan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)adamantan-2-amine is sourced from PubChem (CID 64594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).