3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine

C27H48N2 — CID 69338032

IUPAC3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine
SMILESCC12CC3(C)CC(C)(C1)CC(N)(C2)C3.CCC12CC3(C)CC(C)(CC(N)(C3)C1)C2
InChIInChI=1S/C14H25N.C13H23N/c1-4-13-6-11(2)5-12(3,7-13)9-14(15,8-11)10-13;1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-10,15H2,1-3H3;4-9,14H2,1-3H3
InChIKeySWWOUAHNTFJPFS-UHFFFAOYSA-N
MW400.70 g/mol
LogP6.56
Rot. Bonds1

About 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine

3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine (PubChem CID 69338032) has the molecular formula C27H48N2 and a molecular weight of 400.70 g/mol. Its IUPAC name is 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine.

Molecular Properties

Compound Name3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine
PubChem CID69338032
Molecular FormulaC27H48N2
Molecular Weight400.70 g/mol
Exact Mass400.38
IUPAC Name3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine
SMILESCC12CC3(C)CC(C)(C1)CC(N)(C2)C3.CCC12CC3(C)CC(C)(CC(N)(C3)C1)C2
InChIInChI=1S/C14H25N.C13H23N/c1-4-13-6-11(2)5-12(3,7-13)9-14(15,8-11)10-13;1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-10,15H2,1-3H3;4-9,14H2,1-3H3
InChIKeySWWOUAHNTFJPFS-UHFFFAOYSA-N
XLogP6.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
3-ethyl-5,7-dimethyladamantane-1-carbaldehyde
CID 57272304
(5S,7R)-3-bromo-5,7-dimethyladamantan-1-amine
CID 78333432
3-butyl-5-methyladamantan-1-amine
CID 10013787
(3-amino-5-methyl-1-adamantyl)methanol
CID 2850520
(3S,5S)-3,5-dimethyladamantan-1-amine
CID 6604403
3,5-dimethyladamantan-1-amine;methane
CID 158883426
1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
CID 140892092
3,5-dimethyladamantan-1-amine;methanol
CID 175025323
2-(3,5-dimethyl-7-propanoyl-1-adamantyl)acetamide
CID 155338644
2-[3-ethyl-5-(2-hydroxy-4-methylphenyl)-7-methyl-1-adamantyl]-5-methylphenol
CID 118338945
1-ethyl-3-fluoro-3-methylcyclobutan-1-amine
CID 115011238

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine?
The IUPAC name of 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine (CID 69338032) is 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine.
What is the SMILES notation for 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine?
The canonical SMILES for 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine is CC12CC3(C)CC(C)(C1)CC(N)(C2)C3.CCC12CC3(C)CC(C)(CC(N)(C3)C1)C2.
What is the InChIKey of 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine?
The InChIKey is SWWOUAHNTFJPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N.C13H23N/c1-4-13-6-11(2)5-12(3,7-13)9-14(15,8-11)10-13;1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-10,15H2,1-3H3;4-9,14H2,1-3H3.
What are the key properties of 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine?
3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine has a molecular weight of 400.70 g/mol, XLogP of 6.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-dimethyladamantan-1-amine;3,5,7-trimethyladamantan-1-amine is sourced from PubChem (CID 69338032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).