1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol

C18H33NO — CID 60710621

IUPAC1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol
SMILESCC1(C)C2CCC1(C)C(NCC1(O)CCCCCC1)C2
InChIInChI=1S/C18H33NO/c1-16(2)14-8-11-17(16,3)15(12-14)19-13-18(20)9-6-4-5-7-10-18/h14-15,19-20H,4-13H2,1-3H3
InChIKeyBJWNKMWZBLKIAX-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.88
Rot. Bonds3

About 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol

1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol (PubChem CID 60710621) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol
PubChem CID60710621
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol
SMILESCC1(C)C2CCC1(C)C(NCC1(O)CCCCCC1)C2
InChIInChI=1S/C18H33NO/c1-16(2)14-8-11-17(16,3)15(12-14)19-13-18(20)9-6-4-5-7-10-18/h14-15,19-20H,4-13H2,1-3H3
InChIKeyBJWNKMWZBLKIAX-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol (CID 60710621) is 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol is CC1(C)C2CCC1(C)C(NCC1(O)CCCCCC1)C2.
What is the InChIKey of 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is BJWNKMWZBLKIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(2)14-8-11-17(16,3)15(12-14)19-13-18(20)9-6-4-5-7-10-18/h14-15,19-20H,4-13H2,1-3H3.
What are the key properties of 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol?
1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).