(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine

C13H22N2O — CID 15304567

IUPAC(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine
SMILESCN(C)C[C@H]1/C(=N/O)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]12
InChIInChI=1S/C13H22N2O/c1-15(2)7-12-10-6-11(13(12)14-16)9-5-3-4-8(9)10/h8-12,16H,3-7H2,1-2H3/b14-13+/t8-,9+,10-,11+,12-/m1/s1
InChIKeyAMVFRYYEBSJHSS-NEHKGMLDSA-N
MW222.33 g/mol
LogP2.06
Rot. Bonds2

About (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine

(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine (PubChem CID 15304567) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine
PubChem CID15304567
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine
SMILESCN(C)C[C@H]1/C(=N/O)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]12
InChIInChI=1S/C13H22N2O/c1-15(2)7-12-10-6-11(13(12)14-16)9-5-3-4-8(9)10/h8-12,16H,3-7H2,1-2H3/b14-13+/t8-,9+,10-,11+,12-/m1/s1
InChIKeyAMVFRYYEBSJHSS-NEHKGMLDSA-N
XLogP2.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[(1S,2S,6R,7R,8S,9E)-9-(2-phenylethoxyimino)-8-tricyclo[5.2.1.02,6]decanyl]methanamine
CID 10711257
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
9-methyltricyclo[5.2.1.02,6]decan-8-one
CID 71371178
(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one
CID 3056028
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol
CID 146502695
(3aR,5S,7aS)-5-[(dimethylamino)methyl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 129322188
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopentyl]methanamine
CID 167145219
[(1S,2R)-2-[(dimethylamino)methyl]cyclopentyl]methanamine
CID 84716624

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine (CID 15304567) is (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine is CN(C)C[C@H]1/C(=N/O)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]12.
What is the InChIKey of (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine?
The InChIKey is AMVFRYYEBSJHSS-NEHKGMLDSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)7-12-10-6-11(13(12)14-16)9-5-3-4-8(9)10/h8-12,16H,3-7H2,1-2H3/b14-13+/t8-,9+,10-,11+,12-/m1/s1.
What are the key properties of (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine?
(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine has a molecular weight of 222.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine is sourced from PubChem (CID 15304567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).