adamantane;N-methylmethanamine

C12H23N — CID 20975909

IUPACadamantane;N-methylmethanamine
SMILESC1C2CC3CC1CC(C2)C3.CNC
InChIInChI=1S/C10H16.C2H7N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-2/h7-10H,1-6H2;3H,1-2H3
InChIKeyZJZPAQKACHYQON-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds

About adamantane;N-methylmethanamine

adamantane;N-methylmethanamine (PubChem CID 20975909) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is adamantane;N-methylmethanamine.

Molecular Properties

Compound Nameadamantane;N-methylmethanamine
PubChem CID20975909
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameadamantane;N-methylmethanamine
SMILESC1C2CC3CC1CC(C2)C3.CNC
InChIInChI=1S/C10H16.C2H7N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-2/h7-10H,1-6H2;3H,1-2H3
InChIKeyZJZPAQKACHYQON-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of adamantane;N-methylmethanamine?
The IUPAC name of adamantane;N-methylmethanamine (CID 20975909) is adamantane;N-methylmethanamine.
What is the SMILES notation for adamantane;N-methylmethanamine?
The canonical SMILES for adamantane;N-methylmethanamine is C1C2CC3CC1CC(C2)C3.CNC.
What is the InChIKey of adamantane;N-methylmethanamine?
The InChIKey is ZJZPAQKACHYQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C2H7N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-2/h7-10H,1-6H2;3H,1-2H3.
What are the key properties of adamantane;N-methylmethanamine?
adamantane;N-methylmethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;N-methylmethanamine is sourced from PubChem (CID 20975909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).