(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine

C16H29N — CID 71506067

IUPAC(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine
SMILESCCC1(CC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3
InChIInChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3/t12-,13+,14?,16?
InChIKeyUJOAOIJAOPUIOZ-KKNUOHPOSA-N
MW235.41 g/mol
LogP3.93
Rot. Bonds3

About (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine

(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine (PubChem CID 71506067) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine
PubChem CID71506067
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine
SMILESCCC1(CC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3
InChIInChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3/t12-,13+,14?,16?
InChIKeyUJOAOIJAOPUIOZ-KKNUOHPOSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine?
The IUPAC name of (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine (CID 71506067) is (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine.
What is the SMILES notation for (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine?
The canonical SMILES for (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine is CCC1(CC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3.
What is the InChIKey of (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine?
The InChIKey is UJOAOIJAOPUIOZ-KKNUOHPOSA-N. The full InChI is InChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3/t12-,13+,14?,16?.
What are the key properties of (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine?
(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine is sourced from PubChem (CID 71506067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).