N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine

C14H23N — CID 513037

IUPACN,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine
SMILESCN(C)C1CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23N/c1-15(2)13-8-14(13)11-4-9-3-10(6-11)7-12(14)5-9/h9-13H,3-8H2,1-2H3
InChIKeyZYIWGNOFGYPVSI-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.76
Rot. Bonds1

About N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine

N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine (PubChem CID 513037) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine
PubChem CID513037
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine
SMILESCN(C)C1CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23N/c1-15(2)13-8-14(13)11-4-9-3-10(6-11)7-12(14)5-9/h9-13H,3-8H2,1-2H3
InChIKeyZYIWGNOFGYPVSI-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
The IUPAC name of N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine (CID 513037) is N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
The canonical SMILES for N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine is CN(C)C1CC12C1CC3CC(C1)CC2C3.
What is the InChIKey of N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
The InChIKey is ZYIWGNOFGYPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-15(2)13-8-14(13)11-4-9-3-10(6-11)7-12(14)5-9/h9-13H,3-8H2,1-2H3.
What are the key properties of N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine has a molecular weight of 205.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylspiro[adamantane-2,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 513037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).