(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine

C14H25NO — CID 130334648

IUPAC(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine
SMILESCOC12CC3C[C@H](C1)C(NC(C)C)[C@@H](C3)C2
InChIInChI=1S/C14H25NO/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)16-3/h9-13,15H,4-8H2,1-3H3/t10?,11-,12+,13?,14?
InChIKeyFJLBIPFHAKJFJH-HPCMXSDISA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds3

About (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine

(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine (PubChem CID 130334648) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine.

Molecular Properties

Compound Name(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine
PubChem CID130334648
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine
SMILESCOC12CC3C[C@H](C1)C(NC(C)C)[C@@H](C3)C2
InChIInChI=1S/C14H25NO/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)16-3/h9-13,15H,4-8H2,1-3H3/t10?,11-,12+,13?,14?
InChIKeyFJLBIPFHAKJFJH-HPCMXSDISA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine?
The IUPAC name of (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine (CID 130334648) is (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine.
What is the SMILES notation for (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine?
The canonical SMILES for (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine is COC12CC3C[C@H](C1)C(NC(C)C)[C@@H](C3)C2.
What is the InChIKey of (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine?
The InChIKey is FJLBIPFHAKJFJH-HPCMXSDISA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)16-3/h9-13,15H,4-8H2,1-3H3/t10?,11-,12+,13?,14?.
What are the key properties of (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine?
(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine is sourced from PubChem (CID 130334648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).