N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine

C12H22N2 — CID 23308484

IUPACN-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
SMILESCN(C)/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H22N2/c1-11(2)9-6-7-12(11,3)10(8-9)13-14(4)5/h9H,6-8H2,1-5H3/b13-10-/t9-,12-/m1/s1
InChIKeyWWWRFMZVFNRLOC-SQLGNLQMSA-N
MW194.32 g/mol
LogP2.75
Rot. Bonds1

About N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine

N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine (PubChem CID 23308484) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
PubChem CID23308484
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
SMILESCN(C)/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H22N2/c1-11(2)9-6-7-12(11,3)10(8-9)13-14(4)5/h9H,6-8H2,1-5H3/b13-10-/t9-,12-/m1/s1
InChIKeyWWWRFMZVFNRLOC-SQLGNLQMSA-N
XLogP2.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
CID 175694316
ethyl N-ethoxycarbonyl-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamate
CID 7173796
(1R)-1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 162213995
(E)-1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]heptan-2-imine
CID 5361997
1,7,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.1]heptan-2-imine
CID 134822170
(1R,4R)-1,7,7-trimethyl-N-[4-[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenoxy]phenyl]bicyclo[2.2.1]heptan-2-imine
CID 90670986
(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 11065881
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine (CID 23308484) is N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine is CN(C)/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine?
The InChIKey is WWWRFMZVFNRLOC-SQLGNLQMSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)9-6-7-12(11,3)10(8-9)13-14(4)5/h9H,6-8H2,1-5H3/b13-10-/t9-,12-/m1/s1.
What are the key properties of N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine?
N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine has a molecular weight of 194.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine is sourced from PubChem (CID 23308484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).