adamantane;1-methyladamantane

C21H34 — CID 53425859

IUPACadamantane;1-methyladamantane
SMILESC1C2CC3CC1CC(C2)C3.CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18.C10H16/c1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-2-9-4-8(1)5-10(3-7)6-9/h8-10H,2-7H2,1H3;7-10H,1-6H2
InChIKeyQPPOTYRDPGEKDP-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.06
Rot. Bonds

About adamantane;1-methyladamantane

adamantane;1-methyladamantane (PubChem CID 53425859) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is adamantane;1-methyladamantane.

Molecular Properties

Compound Nameadamantane;1-methyladamantane
PubChem CID53425859
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Nameadamantane;1-methyladamantane
SMILESC1C2CC3CC1CC(C2)C3.CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18.C10H16/c1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-2-9-4-8(1)5-10(3-7)6-9/h8-10H,2-7H2,1H3;7-10H,1-6H2
InChIKeyQPPOTYRDPGEKDP-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyladamantane;1-methyladamantane;1,3,5,7-tetramethyladamantane;1,3,5-trimethyladamantane
CID 158375543
1,4,4-trimethyladamantane
CID 123338227
(3R,5S)-1-methyl-4-methylideneadamantane
CID 10034924
5-methyladamantane-2-carbonitrile
CID 58192708
adamantane;ethane
CID 90892828
(3-methyl-1-adamantyl)phosphane
CID 14906503
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
2,2-dimethyladamantane;ethane
CID 91483373
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
(4S)-4-methyltricyclo[4.3.1.03,8]decan-4-ol
CID 135037653
adamantane;ethane;methane
CID 157076952
adamantane;methanol
CID 21094834

Frequently Asked Questions

What is the IUPAC name of adamantane;1-methyladamantane?
The IUPAC name of adamantane;1-methyladamantane (CID 53425859) is adamantane;1-methyladamantane.
What is the SMILES notation for adamantane;1-methyladamantane?
The canonical SMILES for adamantane;1-methyladamantane is C1C2CC3CC1CC(C2)C3.CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantane;1-methyladamantane?
The InChIKey is QPPOTYRDPGEKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C10H16/c1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-2-9-4-8(1)5-10(3-7)6-9/h8-10H,2-7H2,1H3;7-10H,1-6H2.
What are the key properties of adamantane;1-methyladamantane?
adamantane;1-methyladamantane has a molecular weight of 286.50 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;1-methyladamantane is sourced from PubChem (CID 53425859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).