adamantan-1-amine;carbonic acid

C11H19NO3 — CID 69008368

IUPACadamantan-1-amine;carbonic acid
SMILESNC12CC3CC(CC(C3)C1)C2.O=C(O)O
InChIInChI=1S/C10H17N.CH2O3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;(H2,2,3,4)
InChIKeyMNGAYODFWMSCMV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.14
Rot. Bonds

About adamantan-1-amine;carbonic acid

adamantan-1-amine;carbonic acid (PubChem CID 69008368) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is adamantan-1-amine;carbonic acid.

Molecular Properties

Compound Nameadamantan-1-amine;carbonic acid
PubChem CID69008368
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameadamantan-1-amine;carbonic acid
SMILESNC12CC3CC(CC(C3)C1)C2.O=C(O)O
InChIInChI=1S/C10H17N.CH2O3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;(H2,2,3,4)
InChIKeyMNGAYODFWMSCMV-UHFFFAOYSA-N
XLogP2.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;carbonic acid?
The IUPAC name of adamantan-1-amine;carbonic acid (CID 69008368) is adamantan-1-amine;carbonic acid.
What is the SMILES notation for adamantan-1-amine;carbonic acid?
The canonical SMILES for adamantan-1-amine;carbonic acid is NC12CC3CC(CC(C3)C1)C2.O=C(O)O.
What is the InChIKey of adamantan-1-amine;carbonic acid?
The InChIKey is MNGAYODFWMSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.CH2O3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;(H2,2,3,4).
What are the key properties of adamantan-1-amine;carbonic acid?
adamantan-1-amine;carbonic acid has a molecular weight of 213.28 g/mol, XLogP of 2.14, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine;carbonic acid is sourced from PubChem (CID 69008368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).