adamantan-1-amine;carbamic acid;dihydrate;hydrochloride

C11H25ClN2O4 — CID 159203216

IUPACadamantan-1-amine;carbamic acid;dihydrate;hydrochloride
SMILESCl.NC(=O)O.NC12CC3CC(CC(C3)C1)C2.O.O
InChIInChI=1S/C10H17N.CH3NO2.ClH.2H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4;;;/h7-9H,1-6,11H2;2H2,(H,3,4);1H;2*1H2
InChIKeyKPOAFVZSKGXRAB-UHFFFAOYSA-N
MW284.78 g/mol
LogP0.31
Rot. Bonds

About adamantan-1-amine;carbamic acid;dihydrate;hydrochloride

adamantan-1-amine;carbamic acid;dihydrate;hydrochloride (PubChem CID 159203216) has the molecular formula C11H25ClN2O4 and a molecular weight of 284.78 g/mol. Its IUPAC name is adamantan-1-amine;carbamic acid;dihydrate;hydrochloride.

Molecular Properties

Compound Nameadamantan-1-amine;carbamic acid;dihydrate;hydrochloride
PubChem CID159203216
Molecular FormulaC11H25ClN2O4
Molecular Weight284.78 g/mol
Exact Mass284.15
IUPAC Nameadamantan-1-amine;carbamic acid;dihydrate;hydrochloride
SMILESCl.NC(=O)O.NC12CC3CC(CC(C3)C1)C2.O.O
InChIInChI=1S/C10H17N.CH3NO2.ClH.2H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4;;;/h7-9H,1-6,11H2;2H2,(H,3,4);1H;2*1H2
InChIKeyKPOAFVZSKGXRAB-UHFFFAOYSA-N
XLogP0.31
TPSA152.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;carbamic acid;dihydrate;hydrochloride?
The IUPAC name of adamantan-1-amine;carbamic acid;dihydrate;hydrochloride (CID 159203216) is adamantan-1-amine;carbamic acid;dihydrate;hydrochloride.
What is the SMILES notation for adamantan-1-amine;carbamic acid;dihydrate;hydrochloride?
The canonical SMILES for adamantan-1-amine;carbamic acid;dihydrate;hydrochloride is Cl.NC(=O)O.NC12CC3CC(CC(C3)C1)C2.O.O.
What is the InChIKey of adamantan-1-amine;carbamic acid;dihydrate;hydrochloride?
The InChIKey is KPOAFVZSKGXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.CH3NO2.ClH.2H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4;;;/h7-9H,1-6,11H2;2H2,(H,3,4);1H;2*1H2.
What are the key properties of adamantan-1-amine;carbamic acid;dihydrate;hydrochloride?
adamantan-1-amine;carbamic acid;dihydrate;hydrochloride has a molecular weight of 284.78 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine;carbamic acid;dihydrate;hydrochloride is sourced from PubChem (CID 159203216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).