adamantan-2-amine;hydrate

C10H19NO — CID 139485134

IUPACadamantan-2-amine;hydrate
SMILESNC1C2CC3CC(C2)CC1C3.O
InChIInChI=1S/C10H17N.H2O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H2
InChIKeySGCQOCJKRFFBBZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.95
Rot. Bonds

About adamantan-2-amine;hydrate

adamantan-2-amine;hydrate (PubChem CID 139485134) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is adamantan-2-amine;hydrate.

Molecular Properties

Compound Nameadamantan-2-amine;hydrate
PubChem CID139485134
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameadamantan-2-amine;hydrate
SMILESNC1C2CC3CC(C2)CC1C3.O
InChIInChI=1S/C10H17N.H2O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H2
InChIKeySGCQOCJKRFFBBZ-UHFFFAOYSA-N
XLogP0.95
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of adamantan-2-amine;hydrate?
The IUPAC name of adamantan-2-amine;hydrate (CID 139485134) is adamantan-2-amine;hydrate.
What is the SMILES notation for adamantan-2-amine;hydrate?
The canonical SMILES for adamantan-2-amine;hydrate is NC1C2CC3CC(C2)CC1C3.O.
What is the InChIKey of adamantan-2-amine;hydrate?
The InChIKey is SGCQOCJKRFFBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H2O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H2.
What are the key properties of adamantan-2-amine;hydrate?
adamantan-2-amine;hydrate has a molecular weight of 169.27 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-2-amine;hydrate is sourced from PubChem (CID 139485134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).