2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate

C16H25N3O2 — CID 68503057

IUPAC2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate
SMILES[H]/N=C(/N=C(N)OC1CC2CCC1C2)OC1CC2CCC1C2
InChIInChI=1S/C16H25N3O2/c17-15(20-13-7-9-1-3-11(13)5-9)19-16(18)21-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,17,18,19)
InChIKeyMCIQRCDKTQQDSM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate

2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate (PubChem CID 68503057) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate
PubChem CID68503057
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate
SMILES[H]/N=C(/N=C(N)OC1CC2CCC1C2)OC1CC2CCC1C2
InChIInChI=1S/C16H25N3O2/c17-15(20-13-7-9-1-3-11(13)5-9)19-16(18)21-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,17,18,19)
InChIKeyMCIQRCDKTQQDSM-UHFFFAOYSA-N
XLogP2.65
TPSA80.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl] 2,2,2-trichloroethanimidate;[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 2,2,2-trichloroethanimidate
CID 154586037
3-(2-bicyclo[2.2.1]heptanyloxy)-2-(diaminomethylideneamino)-3-oxopropanoic acid
CID 174902539
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
CID 511673
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
2-bicyclo[2.2.1]heptanyl adamantane-1-carboxylate
CID 150221469
2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate
CID 58139000
2-bicyclo[2.2.1]heptanyl 2-(trifluoromethyl)prop-2-enoate
CID 20768646
2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
CID 91238700
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
hydroxy [N'-(2-bicyclo[2.2.1]heptanyl)carbamimidoyl]sulfanylmethanimidate
CID 87477379
[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2-methylpropanoate
CID 118910595

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate (CID 68503057) is 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate is [H]/N=C(/N=C(N)OC1CC2CCC1C2)OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate?
The InChIKey is MCIQRCDKTQQDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-15(20-13-7-9-1-3-11(13)5-9)19-16(18)21-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,17,18,19).
What are the key properties of 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate?
2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate has a molecular weight of 291.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl N-[amino(2-bicyclo[2.2.1]heptanyloxy)methylidene]carbamimidate is sourced from PubChem (CID 68503057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).