N-(2-methylpropoxy)adamantan-2-amine

C14H25NO — CID 82711549

IUPACN-(2-methylpropoxy)adamantan-2-amine
SMILESCC(C)CONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NO/c1-9(2)8-16-15-14-12-4-10-3-11(6-12)7-13(14)5-10/h9-15H,3-8H2,1-2H3
InChIKeySSDLNZYTTXILAY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds4

About N-(2-methylpropoxy)adamantan-2-amine

N-(2-methylpropoxy)adamantan-2-amine (PubChem CID 82711549) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2-methylpropoxy)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)adamantan-2-amine
PubChem CID82711549
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(2-methylpropoxy)adamantan-2-amine
SMILESCC(C)CONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NO/c1-9(2)8-16-15-14-12-4-10-3-11(6-12)7-13(14)5-10/h9-15H,3-8H2,1-2H3
InChIKeySSDLNZYTTXILAY-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)adamantan-2-amine?
The IUPAC name of N-(2-methylpropoxy)adamantan-2-amine (CID 82711549) is N-(2-methylpropoxy)adamantan-2-amine.
What is the SMILES notation for N-(2-methylpropoxy)adamantan-2-amine?
The canonical SMILES for N-(2-methylpropoxy)adamantan-2-amine is CC(C)CONC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-methylpropoxy)adamantan-2-amine?
The InChIKey is SSDLNZYTTXILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)8-16-15-14-12-4-10-3-11(6-12)7-13(14)5-10/h9-15H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)adamantan-2-amine?
N-(2-methylpropoxy)adamantan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)adamantan-2-amine is sourced from PubChem (CID 82711549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).