N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide

C16H30N2O — CID 60664094

IUPACN-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
SMILESCCCNC(=O)C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H30N2O/c1-6-9-17-14(19)11(2)18-13-10-12-7-8-16(13,5)15(12,3)4/h11-13,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyMTFCHSJKPQSAJJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.71
Rot. Bonds5

About N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide

N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide (PubChem CID 60664094) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
PubChem CID60664094
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
SMILESCCCNC(=O)C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H30N2O/c1-6-9-17-14(19)11(2)18-13-10-12-7-8-16(13,5)15(12,3)4/h11-13,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyMTFCHSJKPQSAJJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
CID 63021775
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
N-heptan-4-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683810
N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222947
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 72947063
(2S)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124827045
(2R)-2-(2-methylpropoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124827047
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
CID 79870432

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
The IUPAC name of N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide (CID 60664094) is N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide.
What is the SMILES notation for N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
The canonical SMILES for N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide is CCCNC(=O)C(C)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
The InChIKey is MTFCHSJKPQSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-9-17-14(19)11(2)18-13-10-12-7-8-16(13,5)15(12,3)4/h11-13,18H,6-10H2,1-5H3,(H,17,19).
What are the key properties of N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide?
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide has a molecular weight of 266.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide is sourced from PubChem (CID 60664094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).