N-propan-2-yladamantan-1-amine

C13H23N — CID 19332

IUPACN-propan-2-yladamantan-1-amine
SMILESCC(C)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23N/c1-9(2)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyFSMRLILYPRGBDS-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds2

About N-propan-2-yladamantan-1-amine

N-propan-2-yladamantan-1-amine (PubChem CID 19332) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-propan-2-yladamantan-1-amine.

Molecular Properties

Compound NameN-propan-2-yladamantan-1-amine
PubChem CID19332
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-propan-2-yladamantan-1-amine
SMILESCC(C)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23N/c1-9(2)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyFSMRLILYPRGBDS-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yladamantan-1-amine?
The IUPAC name of N-propan-2-yladamantan-1-amine (CID 19332) is N-propan-2-yladamantan-1-amine.
What is the SMILES notation for N-propan-2-yladamantan-1-amine?
The canonical SMILES for N-propan-2-yladamantan-1-amine is CC(C)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-propan-2-yladamantan-1-amine?
The InChIKey is FSMRLILYPRGBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yladamantan-1-amine?
N-propan-2-yladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yladamantan-1-amine is sourced from PubChem (CID 19332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).