N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide

C13H24N2O — CID 139642034

IUPACN-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)CN(CCNC=O)C2
InChIInChI=1S/C13H24N2O/c1-12(2)11-4-5-13(12,3)9-15(8-11)7-6-14-10-16/h10-11H,4-9H2,1-3H3,(H,14,16)/t11-,13-/m0/s1
InChIKeyYSSLORYIURRTAP-AAEUAGOBSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds4

About N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide

N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide (PubChem CID 139642034) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide
PubChem CID139642034
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)CN(CCNC=O)C2
InChIInChI=1S/C13H24N2O/c1-12(2)11-4-5-13(12,3)9-15(8-11)7-6-14-10-16/h10-11H,4-9H2,1-3H3,(H,14,16)/t11-,13-/m0/s1
InChIKeyYSSLORYIURRTAP-AAEUAGOBSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide?
The IUPAC name of N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide (CID 139642034) is N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide?
The canonical SMILES for N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide is CC1(C)[C@H]2CC[C@@]1(C)CN(CCNC=O)C2.
What is the InChIKey of N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide?
The InChIKey is YSSLORYIURRTAP-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)11-4-5-13(12,3)9-15(8-11)7-6-14-10-16/h10-11H,4-9H2,1-3H3,(H,14,16)/t11-,13-/m0/s1.
What are the key properties of N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide?
N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide has a molecular weight of 224.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide is sourced from PubChem (CID 139642034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).