N,N-dideuterioadamantan-1-amine

C10H17N — CID 102600925

IUPACN,N-dideuterioadamantan-1-amine
SMILES[2H]N([2H])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i/hD2
InChIKeyDKNWSYNQZKUICI-ZSJDYOACSA-N
MW153.27 g/mol
LogP1.91
Rot. Bonds1

About N,N-dideuterioadamantan-1-amine

N,N-dideuterioadamantan-1-amine (PubChem CID 102600925) has the molecular formula C10H17N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,N-dideuterioadamantan-1-amine.

Molecular Properties

Compound NameN,N-dideuterioadamantan-1-amine
PubChem CID102600925
Molecular FormulaC10H17N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,N-dideuterioadamantan-1-amine
SMILES[2H]N([2H])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i/hD2
InChIKeyDKNWSYNQZKUICI-ZSJDYOACSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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acetic acid;adamantan-1-amine;azane;platinum;dichloride
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(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
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(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
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CID 156677932
CID 156677932
5-aminoadamantane-2-thiol
CID 51038894
(5S,7R)-3-chloroadamantan-1-amine
CID 24721241
(5S,7R)-3-bromoadamantan-1-amine
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CID 18798576

Frequently Asked Questions

What is the IUPAC name of N,N-dideuterioadamantan-1-amine?
The IUPAC name of N,N-dideuterioadamantan-1-amine (CID 102600925) is N,N-dideuterioadamantan-1-amine.
What is the SMILES notation for N,N-dideuterioadamantan-1-amine?
The canonical SMILES for N,N-dideuterioadamantan-1-amine is [2H]N([2H])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N-dideuterioadamantan-1-amine?
The InChIKey is DKNWSYNQZKUICI-ZSJDYOACSA-N. The full InChI is InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i/hD2.
What are the key properties of N,N-dideuterioadamantan-1-amine?
N,N-dideuterioadamantan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterioadamantan-1-amine is sourced from PubChem (CID 102600925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).